Geometry & MOs

Info

ID:	314653
PubChem CID:	126622558
Reduced:	ClNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	5.62
IP(EA), eV:	-10.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethylimino)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(=O)O)C(=O)N)Cl

DOS

IR

Vibrations