Geometry & MOs

Info

ID:	51638
PubChem CID:	12014342
Reduced:	NOH15C24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	338.13068
ΔH_f, kcal/mol:	165.52
Dipole, Da:	3.97
IP(EA), eV:	-9.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2C#CC3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations