Geometry & MOs

Info

ID:	264278
PubChem CID:	103449842
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	0.03
Dipole, Da:	5.74
IP(EA), eV:	-9.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-ethylpyrazol-3-yl)-(cyclohexen-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC(=O)C2=CCCCC2

DOS

IR

Vibrations