Geometry & MOs

Info

ID:	172769
PubChem CID:	75549820
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	496.212198
ΔH_f, kcal/mol:	-80.71
Dipole, Da:	11.14
IP(EA), eV:	-8.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

ethyl 1-[7-[[2-(4-fluorophenyl)acetyl]amino]-1,4-dimethyl-2,3-dioxoquinoxaline-1,4-diium-6-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC3=[N+](C(=O)C(=O)[N+](=C3C=C2NC(=O)C4=CC=CC=C4C)C)C

DOS

IR

Vibrations