Geometry & MOs

Info

ID:	13960
PubChem CID:	400954
Reduced:	FO5N6C21H21 (1)
Stoich.:	AB5C6D21E21 (1)
Weight, g/mol:	456.155746
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	6.51
IP(EA), eV:	-9.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=C(C=C3)N=NN4CC(=O)OCC)C(=[N+]2[O-])C)O)F

DOS

IR

Vibrations