Geometry & MOs

Info

ID:	267467
PubChem CID:	103582311
Reduced:	ClNBr2O2F3H5C12 (1)
Stoich.:	ABC2D2E3F5G12 (1)
Weight, g/mol:	333.98322
ΔH_f, kcal/mol:	-174.66
Dipole, Da:	3.1
IP(EA), eV:	-9.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-3-chloropyridin-2-yl)-N'-hydroxymorpholine-2-carboximidamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=C(C=C(C=N2)Br)Cl)Br)OC(F)(F)F

DOS

IR

Vibrations