Geometry & MOs

Info

ID:	266986
PubChem CID:	103580305
Reduced:	BrClN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	301.94332
ΔH_f, kcal/mol:	33.92
Dipole, Da:	2.99
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations