Geometry & MOs

Info

ID:	21737
PubChem CID:	589715
Reduced:	OC10H10 (1)
Stoich.:	AB10C10 (1)
Weight, g/mol:	146.073165
ΔH_f, kcal/mol:	19.77
Dipole, Da:	3.17
IP(EA), eV:	-9.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CCO

DOS

IR

Vibrations