Geometry & MOs

Info

ID:	255663
PubChem CID:	103133856
Reduced:	ON2F3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	228.107419
ΔH_f, kcal/mol:	-179.23
Dipole, Da:	5.68
IP(EA), eV:	-10.02(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations