Geometry & MOs

Info

ID:	296287
PubChem CID:	117566372
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	285.9953
ΔH_f, kcal/mol:	-159.66
Dipole, Da:	4.35
IP(EA), eV:	-8.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoanilino)-2-(methylamino)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC(=O)C(C(=O)O)NC

DOS

IR

Vibrations