Geometry & MOs

Info

ID:	185417
PubChem CID:	77298398
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	436.06741
ΔH_f, kcal/mol:	-140.31
Dipole, Da:	1.8
IP(EA), eV:	-9.49(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1(COCOC)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations