Geometry & MOs

Info

ID:	172386
PubChem CID:	75503269
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	272.113648
ΔH_f, kcal/mol:	13.58
Dipole, Da:	3.32
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2CN(CCC2OC1)C3=NN=C(S3)CC4=CC=CC=C4

DOS

IR

Vibrations