Geometry & MOs

Info

ID:	45563
PubChem CID:	10514975
Reduced:	OSH12C16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	24.28
Dipole, Da:	1.65
IP(EA), eV:	-8.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-phenylmethoxypentyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C1CC2(C1=O)C3=CC=CC=C3SC4=CC=CC=C24

DOS

IR

Vibrations