Geometry & MOs

Info

ID:	14151
PubChem CID:	405218
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	5.04
IP(EA), eV:	-8.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations