Geometry & MOs

Info

ID:	182968
PubChem CID:	76964680
Reduced:	COH2 (8)
Stoich.:	ABC2 (8)
Weight, g/mol:	770.473084
ΔH_f, kcal/mol:	-339.62
Dipole, Da:	3.78
IP(EA), eV:	-10.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-methylpiperazin-1-yl)propanamide;N-[(4R,4aR,9bS)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-methylpiperazin-1-yl)propanamide

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

C([C@H]([C@@H](C=O)O)O)O.C([C@@H]([C@H](C=O)O)O)O

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

C([C@H]([C@@H](C=O)O)O)O.C([C@@H]([C@H](C=O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):