Geometry & MOs

Info

ID:	2592
PubChem CID:	7990
Reduced:	OC6H10 (1)
Stoich.:	AB6C10 (1)
Weight, g/mol:	98.073165
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	2.76
IP(EA), eV:	-10.32(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-3-yn-2-ol

Drug info:

PubChemData

Smile

CCC#CC(C)O

DOS

IR

Vibrations