Geometry & MOs

Info

ID:	48294
PubChem CID:	10538679
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	250.076057
ΔH_f, kcal/mol:	-26.35
Dipole, Da:	1.09
IP(EA), eV:	-9.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1C2C1C(=O)N(NC2=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations