Geometry & MOs

Info

ID:	175977
PubChem CID:	75977291
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	296.133634
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	6.75
IP(EA), eV:	-8.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,5-difluorobenzoyl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)CCC(=O)N

DOS

IR

Vibrations