Geometry & MOs

Info

ID:	402575
PubChem CID:	135056464
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.044819
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	2.12
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(CO)C=C

DOS

IR

Vibrations