Geometry & MOs

Info

ID:	210677
PubChem CID:	80839109
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	268.172168
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	3.02
IP(EA), eV:	-8.74(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N(C)C(C)(C)CC)NCC

DOS

IR

Vibrations