Geometry & MOs

Info

ID:	378391
PubChem CID:	134224470
Reduced:	O2F13H15C26 (1)
Stoich.:	A2B13C15D26 (1)
Weight, g/mol:	200.112505
ΔH_f, kcal/mol:	-645.51
Dipole, Da:	7.59
IP(EA), eV:	-9.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3-difluorocyclohexyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OC(/C(=C(\C(F)(F)F)/F)/F)(F)F)F)(F)F)F

DOS

IR

Vibrations