Geometry & MOs

Info

ID:	182893
PubChem CID:	76951102
Reduced:	BrON4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	40.39
Dipole, Da:	2.92
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]benzenecarboximidamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2C(C(NN2)N)C3=CC(=CC=C3)Br

DOS

IR

Vibrations