Geometry & MOs

Info

ID:	128334
PubChem CID:	51040140
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	322.214409
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.07
IP(EA), eV:	-9.34(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-7-phenylmethoxyheptan-1-ol

Drug info:

PubChemData

Smile

C1[C@@H](O1)CC/C=C/CCCCCCOCC2=CC=CC=C2

DOS

IR

Vibrations