Geometry & MOs

Info

ID:	382484
PubChem CID:	134973681
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	3.28
IP(EA), eV:	-9.36(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3-diethyl-5-oxocyclohex-3-en-1-yl)-2-phenylacetate

Drug info:

PubChemData

Smile

CCC1=C(C(CC(=O)C1)C(C2=CC=CC=C2)C(=O)OC)CC

DOS

IR

Vibrations