Geometry & MOs

Info

ID:	125
PubChem CID:	2157
Reduced:	NI2O3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	645.02369
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	5.53
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone

Drug info:

PubChemData

Smile

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I

DOS

IR

Vibrations