Geometry & MOs

Info

ID:	393726
PubChem CID:	135021566
Reduced:	H13C14 (2)
Stoich.:	A13B14 (2)
Weight, g/mol:	483.219829
ΔH_f, kcal/mol:	138.39
Dipole, Da:	1.27
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-(4-nitrophenyl)-2-[4-[2-(2-propan-2-ylphenyl)ethynyl]phenyl]indene

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C(C)C

DOS

IR

Vibrations