Geometry & MOs

Info

ID:	379736
PubChem CID:	134463041
Reduced:	BrN2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	348.102941
ΔH_f, kcal/mol:	29.56
Dipole, Da:	8.7
IP(EA), eV:	-9.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-methyl-2-(pyridin-2-ylmethyl)isoindol-1-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

DOS

IR

Vibrations