Geometry & MOs

Info

ID:	210678
PubChem CID:	80839667
Reduced:	SN4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	254.156518
ΔH_f, kcal/mol:	0.24
Dipole, Da:	1.52
IP(EA), eV:	-8.48(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC(=N1)C)NCCCSC)C

DOS

IR

Vibrations