Geometry & MOs

Info

ID:	186506
PubChem CID:	77439300
Reduced:	NOSC6H9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	450.229426
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	4.16
IP(EA), eV:	-8.91(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-5-piperidin-1-ylpentanamide

Drug info:

PubChemData

Smile

C1C2CSCC2NC1=O

DOS

IR

Vibrations