Geometry & MOs

Info

ID:	49011
PubChem CID:	11528612
Reduced:	Cl2H4N4C7 (1)
Stoich.:	A2B4C4D7 (1)
Weight, g/mol:	215.040542
ΔH_f, kcal/mol:	93.62
Dipole, Da:	5.55
IP(EA), eV:	-10.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)N2C=NN=N2

DOS

IR

Vibrations