Geometry & MOs

Info

ID:	413321
PubChem CID:	135086269
Reduced:	ClO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	5.03
IP(EA), eV:	-9.28(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(3-methylphenyl)-2-oxocyclohexyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCCC(C1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations