Geometry & MOs

Info

ID:	210386
PubChem CID:	80798012
Reduced:	ClO2N5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	3.3
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,4-dioxan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)NCC2COCCO2

DOS

IR

Vibrations