Geometry & MOs

Info

ID:	138204
PubChem CID:	52327669
Reduced:	BrO3N4H13C17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	329.12766
ΔH_f, kcal/mol:	11.93
Dipole, Da:	4.17
IP(EA), eV:	-9.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)OCCC3=CC4=C(O3)C=CC(=C4)Br

DOS

IR

Vibrations