Geometry & MOs

Info

ID:	330422
PubChem CID:	127247409
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	291.118318
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	2.78
IP(EA), eV:	-8.95(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CCCC(C2)C3=CC=NN3)F

DOS

IR

Vibrations