Geometry & MOs

Info

ID:	264364
PubChem CID:	103457724
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	3.15
IP(EA), eV:	-9.46(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-3-cyclohexylidenepropan-2-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)C(=O)C=C2CCCCC2

DOS

IR

Vibrations