Geometry & MOs

Info

ID:	191364
PubChem CID:	78137856
Reduced:	O7C13H15 (2)
Stoich.:	A7B13C15 (2)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-537.42
Dipole, Da:	1.07
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-methoxy-4-methylphenyl)-3,4,4-trimethyl-5-oxocyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3O2)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O

DOS

IR

Vibrations