Geometry & MOs

Info

ID:	132367
PubChem CID:	51349817
Reduced:	ION4H29C31 (1)
Stoich.:	ABC4D29E31 (1)
Weight, g/mol:	399.102606
ΔH_f, kcal/mol:	90.23
Dipole, Da:	2.79
IP(EA), eV:	-7.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-hydroxy-2-(naphthalen-1-ylmethyl)isoindol-1-one

Drug info:

PubChemData

Smile

CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)/C=C/N(C)C5=CC=CC=C5.[I-]

DOS

IR

Vibrations