Geometry & MOs

Info

ID:	382569
PubChem CID:	134973816
Reduced:	O3C26H40 (1)
Stoich.:	A3B26C40 (1)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	2.59
IP(EA), eV:	-9.27(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-phenylmethoxytetradec-4-yn-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCC#C[C@@H](CCOC1CCCCO1)OCC2=CC=CC=C2

DOS

IR

Vibrations