Geometry & MOs

Info

ID:	197721
PubChem CID:	78989088
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	3.57
IP(EA), eV:	-9.25(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-ylsulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole

Drug info:

PubChemData

Smile

CC=CC(=O)NCCC1=CC=CC(=C1)C

DOS

IR

Vibrations