Geometry & MOs

Info

ID:	78223
PubChem CID:	49681829
Reduced:	ClN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	2.25
IP(EA), eV:	-8.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-methylphenyl)-N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations