Geometry & MOs

Info

ID:	260979
PubChem CID:	103212462
Reduced:	BrNO2F3C8H13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	317.02383
ΔH_f, kcal/mol:	-268.14
Dipole, Da:	4.74
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-2-cyclopropylethyl)-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCOCC(F)(F)F)Br

DOS

IR

Vibrations