Geometry & MOs

Info

ID:	178361
PubChem CID:	76315676
Reduced:	ClO5N6H9C17 (1)
Stoich.:	AB5C6D9E17 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	86.99
Dipole, Da:	6.04
IP(EA), eV:	-10.2(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-propan-2-yl-4-[2-(pyridin-3-ylmethylamino)ethoxy]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=C(C=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C#N)Cl

DOS

IR

Vibrations