Geometry & MOs

Info

ID:	441
PubChem CID:	2771
Reduced:	FON2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	324.163791
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	3.74
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations