Geometry & MOs

Info

ID:	185418
PubChem CID:	77298800
Reduced:	BrO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	446.172939
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	2.75
IP(EA), eV:	-9.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3(C(CC(C3(O2)C4=CC=C(C=C4)Br)C5=CC=CC=C5)O)O

DOS

IR

Vibrations