Geometry & MOs

Info

ID:	267634
PubChem CID:	103583068
Reduced:	BrClON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	383.90435
ΔH_f, kcal/mol:	9.23
Dipole, Da:	3.36
IP(EA), eV:	-8.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations