Geometry & MOs

Info

ID:	230879
PubChem CID:	87572191
Reduced:	NO5C20H37 (1)
Stoich.:	AB5C20D37 (1)
Weight, g/mol:	395.102823
ΔH_f, kcal/mol:	-301.38
Dipole, Da:	4.52
IP(EA), eV:	-10.36(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminopropan-2-yl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OC(C)C)C(=O)O

DOS

IR

Vibrations