Geometry & MOs

Info

ID:	343789
PubChem CID:	127266965
Reduced:	FON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	274.159375
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	4.41
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluoro-3-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(C)C2=NNC(=O)N2C)F

DOS

IR

Vibrations