Geometry & MOs

Info

ID:	261779
PubChem CID:	103250329
Reduced:	BrNO2F3C7H11 (1)
Stoich.:	ABC2D3E7F11 (1)
Weight, g/mol:	225.097663
ΔH_f, kcal/mol:	-261.21
Dipole, Da:	4.02
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(3,3,3-trifluoropropylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CNCCC(F)(F)F)Br

DOS

IR

Vibrations