Geometry & MOs

Info

ID:	269823
PubChem CID:	103619254
Reduced:	FNOBr3H11C14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	306.137754
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	3.15
IP(EA), eV:	-9.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CNCC2=CC(=C(C(=C2)Br)O)Br)Br

DOS

IR

Vibrations