Geometry & MOs

Info

ID:	84080
PubChem CID:	49864017
Reduced:	ClNO3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	426.210742
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	2.77
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCCOC3=CC(=CC=C3)Cl

DOS

IR

Vibrations