Geometry & MOs

Info

ID:	1305
PubChem CID:	4132
Reduced:	O2C7H7 (4)
Stoich.:	A2B7C7 (4)
Weight, g/mol:	492.178418
ΔH_f, kcal/mol:	-265.22
Dipole, Da:	4.31
IP(EA), eV:	-8.67(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)OC)C5=CC=CC=C5

DOS

IR

Vibrations