Geometry & MOs

Info

ID:	393725
PubChem CID:	135021565
Reduced:	NO2H29C34 (1)
Stoich.:	AB2C29D34 (1)
Weight, g/mol:	362.203451
ΔH_f, kcal/mol:	124.88
Dipole, Da:	7.49
IP(EA), eV:	-8.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis[2-(2-propan-2-ylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1C#CC3=CC=CC=C3)C(=C(C2(C)C)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations