Geometry & MOs

Info

ID:	260479
PubChem CID:	103193092
Reduced:	BrN2O2F3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	354.01907
ΔH_f, kcal/mol:	-239.69
Dipole, Da:	1.96
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylbutanamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CNC1=C(C=C(C=C1)Br)OC(F)(F)F

DOS

IR

Vibrations