Geometry & MOs

Info

ID:	391034
PubChem CID:	135002349
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	339.144326
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	4.4
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-5-phenylbenzo[b][1]benzosilole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCC1=[N+](C=CC(=C1)C2=CC=C(C=C2)OC)[O-]

DOS

IR

Vibrations