Geometry & MOs

Info

ID:	267629
PubChem CID:	103583042
Reduced:	BrClN2F3H5C11 (1)
Stoich.:	ABC2D3E5F11 (1)
Weight, g/mol:	383.90435
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	2.19
IP(EA), eV:	-9.04(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1NC2=C(C=C(C=N2)Br)Cl)F)F)F

DOS

IR

Vibrations