Geometry & MOs

Info

ID:	218472
PubChem CID:	85089500
Reduced:	N2O4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	469.235199
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	1.88
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(7-oxo-4H-pyrido[3,2-f]quinoxalin-7-ium-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C1C(C(C2(N1CCC2)C(=O)OC)C3=CC=CC=C3)(C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations