Geometry & MOs

Info

ID:	255662
PubChem CID:	103133850
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	260.113648
ΔH_f, kcal/mol:	32.32
Dipole, Da:	7.15
IP(EA), eV:	-9.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CCC2=CN=CC=C2

DOS

IR

Vibrations