Geometry & MOs

Info

ID:	172504
PubChem CID:	75517589
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	308.144868
ΔH_f, kcal/mol:	39.55
Dipole, Da:	5.26
IP(EA), eV:	-9.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)-2-[4-(triazol-1-yl)piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=N2)C(C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations