Geometry & MOs

Info

ID:	405104
PubChem CID:	135072527
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	318.146724
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	2.72
IP(EA), eV:	-8.99(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-ethoxy-1-[(4-methoxyphenyl)methyl]-2-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)CC(CCO)CO

DOS

IR

Vibrations