Geometry & MOs

Info

ID:	274100
PubChem CID:	103807022
Reduced:	BrFON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	228.108562
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	2.46
IP(EA), eV:	-8.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-aminopropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)Br)NC1

DOS

IR

Vibrations