Geometry & MOs

Info

ID:	46755
PubChem CID:	10526995
Reduced:	O4H26C29 (1)
Stoich.:	A4B26C29 (1)
Weight, g/mol:	438.12258
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	1.53
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]methyl]-4,4-dimethylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)CC1=CC(=CC=C1)C2=C(C=CC(=C2)CCC3=CC(=CC=C3)C4=CC=CC=C4O)O

DOS

IR

Vibrations