Geometry & MOs

Info

ID:	247772
PubChem CID:	103073199
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	171.108171
ΔH_f, kcal/mol:	-3.82
Dipole, Da:	2.93
IP(EA), eV:	-8.63(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpyrrolidin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC1CCCCCN1CC(=C)CS

DOS

IR

Vibrations