Geometry & MOs

Info

ID:	204826
PubChem CID:	80014486
Reduced:	ISN2O3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	145.092521
ΔH_f, kcal/mol:	10.27
Dipole, Da:	7.38
IP(EA), eV:	-8.98(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpyrrolidin-1-yl)ethanethiol

Drug info:

PubChemData

Smile

CCC(CC)(COC1=C(C=C(C=C1I)C#N)[N+](=O)[O-])CS

DOS

IR

Vibrations