Geometry & MOs

Info

ID:	295743
PubChem CID:	117543551
Reduced:	Cl2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	14.61
Dipole, Da:	4.91
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-4-methoxybenzoyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCN1CCC2=C(C1)C(=NC(=N2)Cl)Cl

DOS

IR

Vibrations