Geometry & MOs

Info

ID:	393724
PubChem CID:	135021564
Reduced:	NO2H16C20 (2)
Stoich.:	AB2C16D20 (2)
Weight, g/mol:	483.219829
ΔH_f, kcal/mol:	126.29
Dipole, Da:	13.83
IP(EA), eV:	-8.53(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-(4-nitrophenyl)-2-phenyl-5-(2-phenylethynyl)-6-propan-2-ylindene

Drug info:

PubChemData

Smile

CC1(C2=CC3=C(C=C2C(=C1C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=C(C3(C)C)C6=CC=CC=C6)C7=CC=C(C=C7)[N+](=O)[O-])C

DOS

IR

Vibrations