Geometry & MOs

Info

ID:	10065
PubChem CID:	96630
Reduced:	PH2Cl3O3C4N4 (1)
Stoich.:	AB2C3D3E4F4 (1)
Weight, g/mol:	289.89301
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	3.85
IP(EA), eV:	-11.03(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-dichlorophosphoryl-5-nitropyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)NP(=O)(Cl)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations