Geometry & MOs

Info

ID:	20301
PubChem CID:	583016
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	43.84
Dipole, Da:	1.91
IP(EA), eV:	-9.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diphenylpent-1-yn-3-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(C#CC2=CC=CC=C2)O

DOS

IR

Vibrations