Geometry & MOs

Info

ID:	51639
PubChem CID:	12014343
Reduced:	OH9C12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	351.162314
ΔH_f, kcal/mol:	91.41
Dipole, Da:	4.22
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=CC=CC=C2C(C#CC3=CC=CC=C3)O

DOS

IR

Vibrations