Geometry & MOs

Info

ID:	204977
PubChem CID:	80039015
Reduced:	N4O4H8C11 (1)
Stoich.:	A4B4C8D11 (1)
Weight, g/mol:	382.9567
ΔH_f, kcal/mol:	-16.41
Dipole, Da:	5.42
IP(EA), eV:	-9.93(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-2-iodoanilino)-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)CN1C2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations