Geometry & MOs

Info

ID:	21982
PubChem CID:	594512
Reduced:	Cl2O2N4H8C13 (1)
Stoich.:	A2B2C4D8E13 (1)
Weight, g/mol:	322.002431
ΔH_f, kcal/mol:	73.04
Dipole, Da:	8.43
IP(EA), eV:	-9.91(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dichlorophenyl)methylamino]-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2=NC(=C(C=C2)[N+](=O)[O-])C#N)Cl)Cl

DOS

IR

Vibrations