Geometry & MOs

Info

ID:	2496
PubChem CID:	7746
Reduced:	OC6H10 (1)
Stoich.:	AB6C10 (1)
Weight, g/mol:	98.073165
ΔH_f, kcal/mol:	-10.02
Dipole, Da:	2.02
IP(EA), eV:	-10.64(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-1-yn-3-ol

Drug info:

PubChemData

Smile

CCCC(C#C)O

DOS

IR

Vibrations