Geometry & MOs

Info

ID:	168021
PubChem CID:	74913622
Reduced:	ClN2O5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	437.175771
ΔH_f, kcal/mol:	-151.22
Dipole, Da:	1.28
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]-1-(2-ethylpiperidin-1-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations