Geometry & MOs

Info

ID:	332004
PubChem CID:	127250290
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	442.177168
ΔH_f, kcal/mol:	24.7
Dipole, Da:	3.17
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=N2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations