Geometry & MOs

Info

ID:	51157
PubChem CID:	12013788
Reduced:	O2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	128.08373
ΔH_f, kcal/mol:	3.88
Dipole, Da:	2.85
IP(EA), eV:	-9.41(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-4-methylhex-5-yne-2,3-diol

Drug info:

PubChemData

Smile

C[C@H](C#C)[C@H]([C@H](C)OCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations