Geometry & MOs

Info

ID:	216586
PubChem CID:	85086460
Reduced:	ClOZnH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	284.062006
ΔH_f, kcal/mol:	70.9
Dipole, Da:	2.05
IP(EA), eV:	-8.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=[C-]C=C2.Cl[Zn+]

DOS

IR

Vibrations