Geometry & MOs

Info

ID:	247766
PubChem CID:	103073192
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	211.139471
ΔH_f, kcal/mol:	-14.76
Dipole, Da:	3.28
IP(EA), eV:	-8.68(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC1(CCCN(CC1)CC(=C)CS)C

DOS

IR

Vibrations