Geometry & MOs

Info

ID:	264347
PubChem CID:	103456361
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	270.102272
ΔH_f, kcal/mol:	-126.6
Dipole, Da:	5.17
IP(EA), eV:	-9.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentane-2,3-diol

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)C(C(C)(C)C)O

DOS

IR

Vibrations