Geometry & MOs

Info

ID:	62340
PubChem CID:	26719344
Reduced:	N3O6H17C23 (1)
Stoich.:	A3B6C17D23 (1)
Weight, g/mol:	415.116821
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	9.18
IP(EA), eV:	-8.69(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-N-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations