Geometry & MOs

Info

ID:	21897
PubChem CID:	593103
Reduced:	N2F3O3C12H21 (1)
Stoich.:	A2B3C3D12E21 (1)
Weight, g/mol:	298.150427
ΔH_f, kcal/mol:	-314.19
Dipole, Da:	5.11
IP(EA), eV:	-9.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-(propylamino)propanoate

Drug info:

PubChemData

Smile

CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCCC

DOS

IR

Vibrations