Geometry & MOs

Info

ID:	330410
PubChem CID:	127247397
Reduced:	F2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	277.139054
ΔH_f, kcal/mol:	-35.89
Dipole, Da:	2.69
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=C(C=CC=C2F)F)C3=CC=NN3

DOS

IR

Vibrations