Geometry & MOs

Info

ID:	21121
PubChem CID:	587290
Reduced:	ClO3N6H11C12 (1)
Stoich.:	AB3C6D11E12 (1)
Weight, g/mol:	322.058116
ΔH_f, kcal/mol:	48.85
Dipole, Da:	2.65
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[5-(dihydroxyamino)-6-(methylamino)pyrimidin-4-yl]iminobenzamide

Drug info:

PubChemData

Smile

CNC1=C(C(=NC=N1)N=NC(=O)C2=CC=CC=C2Cl)N(O)O

DOS

IR

Vibrations