Geometry & MOs

Info

ID:	257713
PubChem CID:	103148252
Reduced:	BrNOSF3C10H13 (1)
Stoich.:	ABCDE3F10G13 (1)
Weight, g/mol:	313.085654
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	4.32
IP(EA), eV:	-9.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CNC(CCOCC(F)(F)F)C1=C(C=CS1)Br

DOS

IR

Vibrations