Geometry & MOs

Info

ID:

193654

PubChem CID:

78419671

Reduced:

N2O8H32C33 (1)

Stoich.:

A2B8C32D33 (1)

Weight, g/mol:

584.215866

ΔHf, kcal/mol:

-196.83

Dipole, Da:

8.86

IP(EA), eV:

 -8.66(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(2-hydroxyethoxy)phenyl]-6a,8,9-trimethyl-2-(4-nitrophenyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)C(=C(C5=O)C)C)C)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])O

DOS

IR

Vibrations