Geometry & MOs

Info

ID:	193650
PubChem CID:	78419201
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	589.18673
ΔH_f, kcal/mol:	-232.17
Dipole, Da:	5.0
IP(EA), eV:	-9.6(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylphenyl)-6-(4-hydroxy-2,6-dimethoxyphenyl)-6a,8-dimethyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Drug info:

PubChemData

Smile

CC(C)C(C(CC(=O)C)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations