Geometry & MOs

Info

ID:	78175
PubChem CID:	49681765
Reduced:	SF3N3O3C20H22 (1)
Stoich.:	AB3C3D3E20F22 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-235.62
Dipole, Da:	4.27
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CSC=C3

DOS

IR

Vibrations