Geometry & MOs

Info

ID:	29070
PubChem CID:	831421
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	322.070205
ΔH_f, kcal/mol:	-25.14
Dipole, Da:	9.45
IP(EA), eV:	-9.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations