Geometry & MOs

Info

ID:	147039
PubChem CID:	53786192
Reduced:	ON7C27H27 (1)
Stoich.:	AB7C27D27 (1)
Weight, g/mol:	374.07428
ΔH_f, kcal/mol:	116.19
Dipole, Da:	7.26
IP(EA), eV:	-8.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-iodopropan-2-yl)-5-methoxy-2,4,6,7-tetramethyl-3H-1-benzofuran

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=CC=C5CC

DOS

IR

Vibrations