Geometry & MOs

Info

ID:	527
PubChem CID:	2930
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	5.59
IP(EA), eV:	-9.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxycarbamoylamino)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NO

DOS

IR

Vibrations