Geometry & MOs

Info

ID:	408808
PubChem CID:	135081576
Reduced:	OH12C16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	132.078644
ΔH_f, kcal/mol:	78.2
Dipole, Da:	2.23
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-yne;1-hydroperoxyethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C(C4C3O4)C5=CC=CC=C52

DOS

IR

Vibrations