Geometry & MOs

Info

ID:	13900
PubChem CID:	399759
Reduced:	O4N6H12C17 (1)
Stoich.:	A4B6C12D17 (1)
Weight, g/mol:	364.092003
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	7.46
IP(EA), eV:	-9.02(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(carboxymethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC4=C(C=C3)N(N=N4)CC(=O)O)C(=O)O

DOS

IR

Vibrations