Geometry & MOs

Info

ID:	382853
PubChem CID:	134974243
Reduced:	O4C21H40 (1)
Stoich.:	A4B21C40 (1)
Weight, g/mol:	225.061278
ΔH_f, kcal/mol:	-252.05
Dipole, Da:	3.19
IP(EA), eV:	-10.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[acetyl(2,2,2-trifluoroethyl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC([C@@H]1C(=O)COC(O1)(C)C)O

DOS

IR

Vibrations