Geometry & MOs

Info

ID:	199558
PubChem CID:	79266693
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-165.14
Dipole, Da:	7.38
IP(EA), eV:	-10.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(2-nitrobenzoyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)C1=CC=CC(=C1)C(=O)N

DOS

IR

Vibrations