Geometry & MOs

Info

ID:	31798
PubChem CID:	3718405
Reduced:	NO6C26H29 (1)
Stoich.:	AB6C26D29 (1)
Weight, g/mol:	373.095023
ΔH_f, kcal/mol:	-222.25
Dipole, Da:	5.43
IP(EA), eV:	-9.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations