Geometry & MOs

Info

ID:	25192
PubChem CID:	620925
Reduced:	O4C23H36 (1)
Stoich.:	A4B23C36 (1)
Weight, g/mol:	320.125988
ΔH_f, kcal/mol:	-229.66
Dipole, Da:	4.38
IP(EA), eV:	-9.88(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-6-(2,3,4-trimethoxyphenyl)cyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

DOS

IR

Vibrations