Geometry & MOs

Info

ID:	210012
PubChem CID:	80750823
Reduced:	ON8C12H18 (1)
Stoich.:	AB8C12D18 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	58.74
Dipole, Da:	4.83
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-(3-ethylphenyl)-5-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N2CCOC(C2)C)N3C=NC=N3

DOS

IR

Vibrations