Geometry & MOs

Info

ID:	261754
PubChem CID:	103249514
Reduced:	BrNO2F3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	259.082013
ΔH_f, kcal/mol:	-204.53
Dipole, Da:	6.49
IP(EA), eV:	-8.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,4,5-trifluoroanilino)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC1=CC(=C(C(=C1)F)F)F)Br

DOS

IR

Vibrations