Geometry & MOs

Info

ID:	212832
PubChem CID:	81061960
Reduced:	ClON5C12H22 (1)
Stoich.:	ABC5D12E22 (1)
Weight, g/mol:	260.067618
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	4.07
IP(EA), eV:	-9.09(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2-ethoxyethyl)-N-methyl-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)N(C)CCOCC)Cl

DOS

IR

Vibrations