Geometry & MOs

Info

ID:	276655
PubChem CID:	103824603
Reduced:	BrFN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-147.51
Dipole, Da:	4.61
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butanoylamino)-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC=C1Br)F)C(=O)NC

DOS

IR

Vibrations