Geometry & MOs

Info

ID:	384720
PubChem CID:	134977550
Reduced:	H3C5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	390.136828
ΔH_f, kcal/mol:	216.9
Dipole, Da:	1.88
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-nitrophenyl)ethynyl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C2C#C/C=C\C#CC3=CC=CC=C3/C=C/C2=C1

DOS

IR

Vibrations