Geometry & MOs

Info

ID:	185423
PubChem CID:	77298805
Reduced:	O8C29H30 (1)
Stoich.:	A8B29C30 (1)
Weight, g/mol:	450.08306
ΔH_f, kcal/mol:	-272.51
Dipole, Da:	4.16
IP(EA), eV:	-8.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations