Geometry & MOs

Info

ID:	210473
PubChem CID:	80811641
Reduced:	ClO2N5C11H18 (1)
Stoich.:	AB2C5D11E18 (1)
Weight, g/mol:	297.198717
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	6.45
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)-2-methylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC1=NC(=NC(=N1)NC)Cl

DOS

IR

Vibrations