Geometry & MOs

Info

ID:	382570
PubChem CID:	134973817
Reduced:	O2C21H32 (1)
Stoich.:	A2B21C32 (1)
Weight, g/mol:	310.250795
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	2.99
IP(EA), eV:	-9.53(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(oxan-2-yloxy)tetradec-4-yn-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCCC#C[C@@H](CCO)OCC1=CC=CC=C1

DOS

IR

Vibrations