Geometry & MOs

Info

ID:	261420
PubChem CID:	103232794
Reduced:	NF3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-244.47
Dipole, Da:	5.44
IP(EA), eV:	-9.05(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(4-bromo-3-methylanilino)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CC(OC1CNC2=C(C(=C(C=C2)F)F)F)C(=O)O

DOS

IR

Vibrations