Geometry & MOs

Info

ID:	393631
PubChem CID:	135021318
Reduced:	NO2H21C27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	347.098
ΔH_f, kcal/mol:	84.76
Dipole, Da:	6.76
IP(EA), eV:	-9.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)[N+](=O)[O-])C

DOS

IR

Vibrations