Geometry & MOs

Info

ID:	14126
PubChem CID:	404977
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	14.58
Dipole, Da:	3.17
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations