Geometry & MOs

Info

ID:	381352
PubChem CID:	134972062
Reduced:	NO18C33H39 (1)
Stoich.:	AB18C33D39 (1)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-758.5
Dipole, Da:	1.74
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)phenyl]-[4-methoxy-2-(2-methoxyethoxymethoxymethyl)phenyl]methanone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):