Geometry & MOs

Info

ID:	78225
PubChem CID:	49681832
Reduced:	ClFN3O3C21H25 (1)
Stoich.:	ABC3D3E21F25 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-146.8
Dipole, Da:	3.47
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-acetamidophenyl)-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)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations