Geometry & MOs

Info

ID:	426811
PubChem CID:	135154000
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	402.134635
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	2.68
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-5-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)OC2CCN(CC2)C3=NN=C(C=C3C=C)C(=O)OC

DOS

IR

Vibrations