Geometry & MOs

Info

ID:	265357
PubChem CID:	103518111
Reduced:	BrON4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	332.06366
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	3.92
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

C1CN(CC1N2CCOCC2)C3=C(C=NC=C3N)Br

DOS

IR

Vibrations