Geometry & MOs

Info

ID:	260780
PubChem CID:	103203764
Reduced:	FO2N4H9C14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	262.070205
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	5.21
IP(EA), eV:	-9.25(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,2,4-benzotriazin-3-yl(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N=N2)NC3=C(C=C(C=C3)C(=O)O)F

DOS

IR

Vibrations