Geometry & MOs

Info

ID:	291570
PubChem CID:	113444869
Reduced:	OF2N2H8C13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	4.46
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-2-nitroanilino)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OC2=C(C(=CC=C2)F)F)N)C#N

DOS

IR

Vibrations