Geometry & MOs

Info

ID:	185421
PubChem CID:	77298803
Reduced:	BrNO4H22C25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	508.08854
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	1.75
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations