Geometry & MOs

Info

ID:	132586
PubChem CID:	51383500
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	336.101598
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-chloro-N-(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)quinoxalin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations