Geometry & MOs

Info

ID:	312643
PubChem CID:	126607121
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	494.186002
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	2.72
IP(EA), eV:	-9.23(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-[[4-[(5-methyl-1,3-dihydro-2-benzofuran-1-yl)methoxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1/C(=C\C)/CCC(=O)C

DOS

IR

Vibrations