Geometry & MOs

Info

ID:	202011
PubChem CID:	79619278
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	264.256549
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	3.96
IP(EA), eV:	-8.47(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)N2CCS(=O)CC2

DOS

IR

Vibrations