Geometry & MOs

Info

ID:	383026
PubChem CID:	134974516
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	1.12
IP(EA), eV:	-8.76(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-3-methoxy-2,4-dimethylhept-5-yn-1-ol

Drug info:

PubChemData

Smile

C[C@@]1(C[C@@H]([C@H](O1)OC)OCC2=CC=C(C=C2)OC)C=C

DOS

IR

Vibrations