Geometry & MOs

Info

ID:	18702
PubChem CID:	546679
Reduced:	NF3O5C14H22 (1)
Stoich.:	AB3C5D14E22 (1)
Weight, g/mol:	341.145007
ΔH_f, kcal/mol:	-414.31
Dipole, Da:	2.98
IP(EA), eV:	-10.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations