Geometry & MOs

Info

ID:	266931
PubChem CID:	103580122
Reduced:	BrClN2F3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	291.9978
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	1.78
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN(CCC(F)(F)F)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations