Geometry & MOs

Info

ID:	368586
PubChem CID:	127329584
Reduced:	FO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-116.42
Dipole, Da:	7.79
IP(EA), eV:	-9.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2=O)N3CCC(=O)NCC3

DOS

IR

Vibrations