Geometry & MOs

Info

ID:	289637
PubChem CID:	104362359
Reduced:	ClO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	344.06232
ΔH_f, kcal/mol:	-135.31
Dipole, Da:	3.22
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,4-dimethoxy-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CCC(CC1=CC(=CC2=C1OCC2)Cl)(COC)O

DOS

IR

Vibrations