Geometry & MOs

Info

ID:	213056
PubChem CID:	81062697
Reduced:	ClO2N4C10H17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	271.14514
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	3.37
IP(EA), eV:	-9.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(2-ethoxyethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=NC(=NC(=N1)Cl)OCC

DOS

IR

Vibrations