Geometry & MOs

Info

ID:	217995
PubChem CID:	85088711
Reduced:	BrO2H19C24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	418.11436
ΔH_f, kcal/mol:	-27.56
Dipole, Da:	3.87
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-(7-bromo-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC(=O)OC1C(CCC2=C1C3=CC=CC=C3C4=C2C=CC5=CC=CC=C54)Br

DOS

IR

Vibrations