Geometry & MOs

Info

ID:	300081
PubChem CID:	119526704
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	430.177168
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	5.82
IP(EA), eV:	-8.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCCCO3)N.Cl

DOS

IR

Vibrations