Geometry & MOs

Info

ID:	343393
PubChem CID:	127266566
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	341.094247
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	3.35
IP(EA), eV:	-8.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-fluoro-6-[[[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)C=CNC3=O)OCC

DOS

IR

Vibrations