Geometry & MOs

Info

ID:	210673
PubChem CID:	80838917
Reduced:	SN4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	311.097145
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	3.81
IP(EA), eV:	-8.48(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(CC)C(C)NC1=NC(=NC(=C1)NC)SC

DOS

IR

Vibrations