Geometry & MOs

Info

ID:	214161
PubChem CID:	81087153
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	202.131742
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	6.62
IP(EA), eV:	-9.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methylbutanoyl)-ethylamino]acetic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C)CN

DOS

IR

Vibrations