Geometry & MOs

Info

ID:	210104
PubChem CID:	80763265
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	3.2
IP(EA), eV:	-8.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,5-dimethylphenyl)-6-N-propylpyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CNC1=CN=CC(=N1)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations