Geometry & MOs

Info

ID:	247809
PubChem CID:	103073325
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	225.155121
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	3.47
IP(EA), eV:	-8.76(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-azaspiro[4.5]decan-8-ylmethyl)prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)CC(=C)CS)C

DOS

IR

Vibrations