Geometry & MOs

Info

ID:	178819
PubChem CID:	76385841
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	356.226392
ΔH_f, kcal/mol:	-34.72
Dipole, Da:	8.14
IP(EA), eV:	-8.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-(4-methylphenyl)-1,2,3,4,4a,6a,7,7a,8,9,10,11,11a,12a-tetradecahydroindolo[1,2-a]quinoxalin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3CC(CCC3N4C5CCCCC5CC4C2=O)[N+](=O)[O-]

DOS

IR

Vibrations