Geometry & MOs

Info

ID:	405105
PubChem CID:	135072528
Reduced:	O5C18H22 (1)
Stoich.:	A5B18C22 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-180.28
Dipole, Da:	5.5
IP(EA), eV:	-8.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-ethoxy-1-[(4-methoxyphenyl)methyl]-2-oxocyclohex-3-en-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC(=O)C(CC1)(CC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations