Geometry & MOs

Info

ID:	51637
PubChem CID:	12014341
Reduced:	NO3H15C23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	333.115364
ΔH_f, kcal/mol:	127.25
Dipole, Da:	6.39
IP(EA), eV:	-9.54(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(1-hydroxy-3-phenylprop-2-ynyl)phenyl]ethynyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2C#CC3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations