Geometry & MOs

Info

ID:	264366
PubChem CID:	103457731
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-5.24
Dipole, Da:	3.02
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-ethylpyrazol-3-yl)-2-cyclohexylideneethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CC(=O)C=C3CCCCC3

DOS

IR

Vibrations