Geometry & MOs

Info

ID:	245909
PubChem CID:	103027744
Reduced:	NO2F3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	266.123069
ΔH_f, kcal/mol:	-239.34
Dipole, Da:	4.08
IP(EA), eV:	-10.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluoro-5-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CC(C1=C(C=CN=C1)C(F)(F)F)O)OC

DOS

IR

Vibrations