Geometry & MOs

Info

ID:	57728
PubChem CID:	24276855
Reduced:	SN2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	27.88
Dipole, Da:	3.78
IP(EA), eV:	-8.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations