Geometry & MOs

Info

ID:	78224
PubChem CID:	49681831
Reduced:	ClN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	421.156848
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	3.15
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C

DOS

IR

Vibrations