Geometry & MOs

Info

ID:	210352
PubChem CID:	80795331
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-25.83
Dipole, Da:	5.43
IP(EA), eV:	-8.9(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-2-methylsulfanyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1N(C)CC2CCCO2)N

DOS

IR

Vibrations