Geometry & MOs

Info

ID:	245910
PubChem CID:	103027903
Reduced:	OF2N2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	285.108897
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	1.67
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(CCC2=CN(N=C2)C)O

DOS

IR

Vibrations