Geometry & MOs

Info

ID:	57731
PubChem CID:	24276859
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	-12.55
Dipole, Da:	3.73
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-2-pyrrolidin-1-ylethanethioamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=S)N)N2CCOCC2

DOS

IR

Vibrations