Geometry & MOs

Info

ID:	170531
PubChem CID:	75248134
Reduced:	FON4C26H33 (1)
Stoich.:	ABC4D26E33 (1)
Weight, g/mol:	382.273262
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	5.17
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopropyltriazol-1-yl)-1-hexyl-6-(4-methylphenyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CCCCCCN1CC(C(CC1C2=CC=C(C=C2)C)N3C=C(N=N3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations