Geometry & MOs

Info

ID:	257771
PubChem CID:	103148536
Reduced:	ON2F3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	371.05079
ΔH_f, kcal/mol:	-189.44
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)C1=CN=C(C=C1)C

DOS

IR

Vibrations