Geometry & MOs

Info

ID:	261780
PubChem CID:	103250342
Reduced:	NO2F3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	225.097663
ΔH_f, kcal/mol:	-252.47
Dipole, Da:	3.37
IP(EA), eV:	-9.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-4-(3,3,3-trifluoropropylamino)but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCNCCC(F)(F)F)C(=O)O

DOS

IR

Vibrations