Geometry & MOs

Info

ID:	289671
PubChem CID:	104365158
Reduced:	ClO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	-83.49
Dipole, Da:	5.02
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-methylhexan-3-ol

Drug info:

PubChemData

Smile

C1CC(=O)CC1CC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations