Geometry & MOs

Info

ID:	264367
PubChem CID:	103457741
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	4.04
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexylidene-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Cl)C(=O)C=C2CCCCC2

DOS

IR

Vibrations