Geometry & MOs

Info

ID:	210736
PubChem CID:	80849505
Reduced:	ClN4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	296.203468
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	3.16
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-4-N-(2-methylpropyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(CC)N(CC(C)C)C1=NC(=NC=C1Cl)N

DOS

IR

Vibrations