Geometry & MOs

Info

ID:	206073
PubChem CID:	80198943
Reduced:	OF2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	252.107419
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

COCCC(C1=NC=C(N1)C2=CC(=CC(=C2)F)F)N

DOS

IR

Vibrations