Geometry & MOs

Info

ID:	56488
PubChem CID:	17435888
Reduced:	BrN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-46.98
Dipole, Da:	3.87
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations