Geometry & MOs

Info

ID:	292095
PubChem CID:	114451543
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	225.09652
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	2.27
IP(EA), eV:	-9.59(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-difluorophenyl)methyl]piperidin-4-one

Drug info:

PubChemData

Smile

CC(CC1CNCCC1=O)O

DOS

IR

Vibrations