Geometry & MOs

Info

ID:	197419
PubChem CID:	78965638
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	7.47
IP(EA), eV:	-9.8(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(4-cyano-2-nitrophenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

DOS

IR

Vibrations