Geometry & MOs

Info

ID:	159130
PubChem CID:	57260512
Reduced:	NC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	305.064113
ΔH_f, kcal/mol:	62.66
Dipole, Da:	1.34
IP(EA), eV:	-8.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-sulfanylphenyl)-3-ethylidene-4,5,6,7-tetrahydroisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C1=CC(=C)N2)C

DOS

IR

Vibrations