Geometry & MOs

Info

ID:	83951
PubChem CID:	49862800
Reduced:	ClFN3O4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	322.126864
ΔH_f, kcal/mol:	-228.24
Dipole, Da:	4.79
IP(EA), eV:	-9.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-3-aminooxypropan-2-yl) 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)CCC(=O)NC(CC(=O)O)C3=CC=CC=C3F.Cl

DOS

IR

Vibrations