Geometry & MOs

Info

ID:	134229
PubChem CID:	51665699
Reduced:	NO9C22H29 (1)
Stoich.:	AB9C22D29 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-396.69
Dipole, Da:	1.39
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,10bS)-2-(4-methoxyphenyl)-5'-methyl-1'-prop-2-enylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

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

CC1=C(C(=CC=C1)C)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=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

CC1=C(C(=CC=C1)C)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):