Geometry & MOs

Info

ID:	267009
PubChem CID:	103580432
Reduced:	BrClON3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	320.0291
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	4.12
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations