Geometry & MOs

Info

ID:	139875
PubChem CID:	52610235
Reduced:	SN2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	328.176248
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984471
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC2=CC=CC=C2O1)C3=CSC=C3

DOS

IR

Vibrations