Geometry & MOs

Info

ID:	11735
PubChem CID:	120042
Reduced:	NC7H8 (3)
Stoich.:	AB7C8 (3)
Weight, g/mol:	318.197023
ΔH_f, kcal/mol:	68.29
Dipole, Da:	1.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100910
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2,3-dihydro-1H-quinoxalin-4-ium

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=CC=[N+]3CCNC4=CC=CC=C43)C)C

DOS

IR

Vibrations