Geometry & MOs

Info

ID:	247763
PubChem CID:	103073184
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	213.118735
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	3.21
IP(EA), eV:	-8.77(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(sulfanylmethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CC1(CCCN(C1)CC(=C)CS)C

DOS

IR

Vibrations