Geometry & MOs

Info

ID:	11232
PubChem CID:	112173
Reduced:	N2O5C32H34 (1)
Stoich.:	A2B5C32D34 (1)
Weight, g/mol:	526.246772
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	8.19
IP(EA), eV:	-8.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC(=C4)C(=O)O)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C

DOS

IR

Vibrations