Geometry & MOs

Info

ID:	221912
PubChem CID:	85292690
Reduced:	ClFN2O5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	395.189016
ΔH_f, kcal/mol:	-252.78
Dipole, Da:	5.61
IP(EA), eV:	-10.29(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-8,10-diphenyl-2,3,4,4a,5,6a,7,8,9,10,11,11a-dodecahydro-1H-pyrido[1,2-a]quinoxalin-11-ium-6-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)F)Cl

DOS

IR

Vibrations