Geometry & MOs

Info

ID:	22490
PubChem CID:	597369
Reduced:	O3N4H14C19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	346.10659
ΔH_f, kcal/mol:	80.31
Dipole, Da:	8.51
IP(EA), eV:	-9.39(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3

DOS

IR

Vibrations