Geometry & MOs

Info

ID:	10316
PubChem CID:	100212
Reduced:	N2O2C3H4 (2)
Stoich.:	A2B2C3D4 (2)
Weight, g/mol:	200.054555
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	4.18
IP(EA), eV:	-10.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-nitro-1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=NC(=C(N1)CC(C(=O)O)N)[N+](=O)[O-]

DOS

IR

Vibrations