Geometry & MOs

Info

ID:	210383
PubChem CID:	80798009
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	3.84
IP(EA), eV:	-8.82(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,4-dioxan-2-ylmethyl)-5-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NCC2COCCO2)N

DOS

IR

Vibrations