Geometry & MOs

Info

ID:	374612
PubChem CID:	131342030
Reduced:	BrNF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	249.053212
ΔH_f, kcal/mol:	-122.89
Dipole, Da:	4.23
IP(EA), eV:	-9.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-3-(trifluoromethyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)(C(=C)C(F)(F)F)N

DOS

IR

Vibrations