Geometry & MOs

Info

ID:	393633
PubChem CID:	135021320
Reduced:	NO2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	10.27
Dipole, Da:	7.02
IP(EA), eV:	-9.01(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1,1-dimethyl-3-(4-nitrophenyl)indene

Drug info:

PubChemData

Smile

CCCCCCC1=C(C2=CC=CC=C2C1(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations