Geometry & MOs

Info

ID:	276421
PubChem CID:	103823183
Reduced:	ClON4C10H15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	6.58
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyano-4-nitroanilino)-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=CN=CC(=N1)Cl)C(=O)NC

DOS

IR

Vibrations