Geometry & MOs

Info

ID:	330409
PubChem CID:	127247396
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	277.139054
ΔH_f, kcal/mol:	9.88
Dipole, Da:	5.77
IP(EA), eV:	-9.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations