Geometry & MOs

Info

ID:	21977
PubChem CID:	594491
Reduced:	ClON2H5C7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	336.018081
ΔH_f, kcal/mol:	74.54
Dipole, Da:	10.92
IP(EA), eV:	-9.68(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations