Geometry & MOs

Info

ID:	266930
PubChem CID:	103580113
Reduced:	BrClN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	315.95897
ΔH_f, kcal/mol:	12.13
Dipole, Da:	3.49
IP(EA), eV:	-8.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(CN1CCCC1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations