Geometry & MOs

Info

ID:	13958
PubChem CID:	400928
Reduced:	ClN5H16C23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	397.109423
ΔH_f, kcal/mol:	156.94
Dipole, Da:	4.65
IP(EA), eV:	-8.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C5=CC=C(C=C5)Cl)N

DOS

IR

Vibrations