Geometry & MOs

Info

ID:	280013
PubChem CID:	103846358
Reduced:	BrF3N3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	334.98811
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	6.86
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2=C(C=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations