Geometry & MOs

Info

ID:	83952
PubChem CID:	49862804
Reduced:	ClO3N8C9H19 (1)
Stoich.:	AB3C8D9E19 (1)
Weight, g/mol:	286.150186
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	3.15
IP(EA), eV:	-9.71(-0.29)
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

Drug info:

PubChemData

Smile

CC(C(=O)OC(CN)CON)NC1=NC(=NC(=N1)N)N.Cl

DOS

IR

Vibrations