Geometry & MOs

Info

ID:	360365
PubChem CID:	127301010
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	399.207053
ΔH_f, kcal/mol:	56.13
Dipole, Da:	7.69
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[3-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations