Geometry & MOs

Info

ID:	396234
PubChem CID:	135027811
Reduced:	NO5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	4.44
IP(EA), eV:	-9.58(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-6-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]2[C@H](OC(=O)[C@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC#N

DOS

IR

Vibrations