Geometry & MOs

Info

ID:	210442
PubChem CID:	80808284
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	263.120467
ΔH_f, kcal/mol:	45.5
Dipole, Da:	5.75
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)[N+](=O)[O-])NCC2=NC=CS2

DOS

IR

Vibrations