Geometry & MOs

Info

ID:	168024
PubChem CID:	74913972
Reduced:	BrNO3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	445.144471
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	3.8
IP(EA), eV:	-8.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N1CCCCC1)C2=C(C=C3C(=C2)C(=CO3)C4=CC(=CC=C4)Br)OC

DOS

IR

Vibrations