Geometry & MOs

Info

ID:	267483
PubChem CID:	103582353
Reduced:	BrClN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	363.95897
ΔH_f, kcal/mol:	47.86
Dipole, Da:	2.95
IP(EA), eV:	-8.36(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCNC1=C(C=C(C=N1)Br)Cl)C2=CC=CC=C2

DOS

IR

Vibrations