Geometry & MOs

Info

ID:	2932
PubChem CID:	8883
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	3.82
IP(EA), eV:	-10.46(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethylhex-3-yne-2,5-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations