Geometry & MOs

Info

ID:	312648
PubChem CID:	126607155
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	494.186002
ΔH_f, kcal/mol:	-71.95
Dipole, Da:	0.59
IP(EA), eV:	-8.93(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC=C(C=C1)CNC(=O)CCCCC(=O)NCC2=CCCC=C2

DOS

IR

Vibrations