Geometry & MOs

Info

ID:	393727
PubChem CID:	135021567
Reduced:	NO2H29C34 (1)
Stoich.:	AB2C29D34 (1)
Weight, g/mol:	604.236208
ΔH_f, kcal/mol:	125.49
Dipole, Da:	7.33
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1,1-dimethyl-3-(4-nitrophenyl)inden-2-yl]phenyl]-1,1-dimethyl-3-(4-nitrophenyl)indene

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C#CC2=CC=C(C=C2)C3=C(C4=CC=CC=C4C3(C)C)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations