Geometry & MOs

Info

ID:	178817
PubChem CID:	76385839
Reduced:	INO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	356.226392
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	2.08
IP(EA), eV:	-8.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-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

CC(C)(C)N1C(=C(CCCO)I)C2=CC=CC=C2C1=O

DOS

IR

Vibrations