Geometry & MOs

Info

ID:	322922
PubChem CID:	126671584
Reduced:	OC16H24 (1)
Stoich.:	AB16C24 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	1.54
IP(EA), eV:	-9.37(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-3-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CCC[C@H]1CCCC[C@@H]1OCC2=CC=CC=C2

DOS

IR

Vibrations