Geometry & MOs

Info

ID:	183891
PubChem CID:	77087388
Reduced:	FO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	323.124547
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	3.27
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CN(CC1=CC=NN1)CC2=CC(=C(C=C2F)OC)OC

DOS

IR

Vibrations