Geometry & MOs

Info

ID:	409979
PubChem CID:	135082766
Reduced:	KLiO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	318.115698
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	2.57
IP(EA), eV:	-7.36(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-amino-4-(2-phenylethynyl)phenyl]ethynyl]benzonitrile

Drug info:

PubChemData

Smile

[Li+].COC1=CC(=CC(=[C-]1)OC)C(=O)[O-].[K+]

DOS

IR

Vibrations