Geometry & MOs

Info

ID:	338213
PubChem CID:	127258905
Reduced:	BrClN2F3C7H7 (1)
Stoich.:	ABC2D3E7F7 (1)
Weight, g/mol:	316.118985
ΔH_f, kcal/mol:	-157.67
Dipole, Da:	3.21
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)NN)Br)C(F)(F)F.Cl

DOS

IR

Vibrations