Geometry & MOs

Info

ID:	324133
PubChem CID:	126676985
Reduced:	BrClO6C13H14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	326.98864
ΔH_f, kcal/mol:	-239.55
Dipole, Da:	4.59
IP(EA), eV:	-9.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-[2-(4-chlorophenyl)hydrazinyl]pyridine-2,6-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2[C@@]([C@@H]([C@H](O2)CO)O)(Cl)Br

DOS

IR

Vibrations