Geometry & MOs

Info

ID:	257772
PubChem CID:	103148539
Reduced:	BrNOF4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	371.05079
ΔH_f, kcal/mol:	-240.78
Dipole, Da:	3.36
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)CC1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations