Geometry & MOs

Info

ID:	213850
PubChem CID:	81065481
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-134.28
Dipole, Da:	2.71
IP(EA), eV:	-9.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-3-nitroanilino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC(C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations