Geometry & MOs

Info

ID:	230094
PubChem CID:	87570142
Reduced:	NaSO2C3H7 (1)
Stoich.:	ABC2D3E7 (1)
Weight, g/mol:	343.069924
ΔH_f, kcal/mol:	-118.64
Dipole, Da:	8.39
IP(EA), eV:	-8.02(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]morpholine

Drug info:

PubChemData

Smile

CCC(=O)O.[Na+].[SH-]

DOS

IR

Vibrations