Geometry & MOs

Info

ID:	168022
PubChem CID:	74913623
Reduced:	ClNO3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	423.160121
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	2.47
IP(EA), eV:	-8.77(-0.72)
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-methylpiperidin-1-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations