Geometry & MOs

Info

ID:	18147
PubChem CID:	538571
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	2.1
IP(EA), eV:	-10.45(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,6-trimethylhept-3-yne-2,5-diol

Drug info:

PubChemData

Smile

CC(C#CC(C)(C(C)(C)C)O)O

DOS

IR

Vibrations