Geometry & MOs

Info

ID:	359768
PubChem CID:	127299812
Reduced:	FO2N5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	3.37
Dipole, Da:	8.45
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)NC3CCCN(C3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations