Geometry & MOs

Info

ID:	14164
PubChem CID:	405498
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	4.91
IP(EA), eV:	-7.83(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])CN3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)C

DOS

IR

Vibrations