Geometry & MOs

Info

ID:	14802
PubChem CID:	420870
Reduced:	N3O3C10H11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	221.080041
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	8.42
IP(EA), eV:	-10.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-iminoethyl)carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=N)N)C(=O)O

DOS

IR

Vibrations