Geometry & MOs

Info

ID:	352079
PubChem CID:	127283147
Reduced:	F2N3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	271.171834
ΔH_f, kcal/mol:	-199.63
Dipole, Da:	3.69
IP(EA), eV:	-9.01(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-3-yl)-2-methylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)N2CCN(CC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations