Geometry & MOs

Info

ID:	14125
PubChem CID:	404975
Reduced:	ClON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	380.140389
ΔH_f, kcal/mol:	48.73
Dipole, Da:	3.09
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations