Geometry & MOs

Info

ID:	210384
PubChem CID:	80798010
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	256.099397
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	3.91
IP(EA), eV:	-8.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1NCC2COCCO2)N

DOS

IR

Vibrations