Geometry & MOs

Info

ID:	145461
PubChem CID:	53528782
Reduced:	NSO5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	331.138385
ΔH_f, kcal/mol:	-153.34
Dipole, Da:	4.45
IP(EA), eV:	-9.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-difluorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations