Geometry & MOs

Info

ID:	212765
PubChem CID:	81061762
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	292.99305
ΔH_f, kcal/mol:	-112.49
Dipole, Da:	4.29
IP(EA), eV:	-9.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(2-ethoxyethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(C=CN=C1)N

DOS

IR

Vibrations