Geometry & MOs

Info

ID:	23943
PubChem CID:	607179
Reduced:	NF3O3C11H18 (1)
Stoich.:	AB3C3D11E18 (1)
Weight, g/mol:	269.123878
ΔH_f, kcal/mol:	-322.76
Dipole, Da:	3.69
IP(EA), eV:	-10.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 3-methyl-4-[(2,2,2-trifluoroacetyl)amino]butanoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)CC(C)CNC(=O)C(F)(F)F

DOS

IR

Vibrations