Geometry & MOs

Info

ID:	312640
PubChem CID:	126607102
Reduced:	ClO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	471.204573
ΔH_f, kcal/mol:	-85.62
Dipole, Da:	2.28
IP(EA), eV:	-9.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methyl]-4-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCl)C(CO)O

DOS

IR

Vibrations