Geometry & MOs

Info

ID:	197079
PubChem CID:	78918855
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	261.152892
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	5.37
IP(EA), eV:	-9.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-fluoro-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=O)N2CCCC(C2)C(=O)OC

DOS

IR

Vibrations