Geometry & MOs

Info

ID:	282787
PubChem CID:	103938819
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	288.144948
ΔH_f, kcal/mol:	-4.82
Dipole, Da:	1.43
IP(EA), eV:	-8.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCC3=CC=CC=C3CC2)O

DOS

IR

Vibrations