Geometry & MOs

Info

ID:	267516
PubChem CID:	103582498
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	363.95897
ΔH_f, kcal/mol:	11.06
Dipole, Da:	3.07
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations