Geometry & MOs

Info

ID:	14113
PubChem CID:	404700
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	9.82
Dipole, Da:	4.92
IP(EA), eV:	-8.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperazin-1-yl)-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations