Geometry & MOs

Info

ID:	5336
PubChem CID:	12991
Reduced:	OC4H6 (1)
Stoich.:	AB4C6 (1)
Weight, g/mol:	70.041865
ΔH_f, kcal/mol:	-3.21
Dipole, Da:	2.86
IP(EA), eV:	-10.25(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-yn-1-ol

Drug info:

PubChemData

Smile

CC#CCO

DOS

IR

Vibrations