Geometry & MOs

Info

ID:	309505
PubChem CID:	126546698
Reduced:	O6N19C24H39 (1)
Stoich.:	A6B19C24D39 (1)
Weight, g/mol:	240.133474
ΔH_f, kcal/mol:	-141.57
Dipole, Da:	5.33
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C(CNC1=NC(=NC(=N1)N)NCCNC2=NC(=NC(=N2)NCCC(=O)O)NCCNC3=NC(=NC(=N3)NCCN)NCCC(=O)O)C(=O)O

DOS

IR

Vibrations