Geometry & MOs

Info

ID:	213979
PubChem CID:	81065616
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-147.26
Dipole, Da:	4.02
IP(EA), eV:	-8.63(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=CN(N=C1)CCOC

DOS

IR

Vibrations