Geometry & MOs

Info

ID:	370763
PubChem CID:	127340543
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	5.23
Dipole, Da:	4.46
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(CC2)C(=O)C3=C4C=NNC4=CC=C3

DOS

IR

Vibrations