Geometry & MOs

Info

ID:	285010
PubChem CID:	104090612
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	250.135765
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	3.46
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylphenyl)hex-5-yn-1-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(CCCC#C)O)OC)OC

DOS

IR

Vibrations