Geometry & MOs

Info

ID:	14162
PubChem CID:	405442
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	16.88
Dipole, Da:	4.64
IP(EA), eV:	-8.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-(3,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5)OC

DOS

IR

Vibrations