Geometry & MOs

Info

ID:	265332
PubChem CID:	103517453
Reduced:	N3C9H19 (1)
Stoich.:	A3B9C19 (1)
Weight, g/mol:	331.99089
ΔH_f, kcal/mol:	-4.83
Dipole, Da:	3.15
IP(EA), eV:	-8.94(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-amino-5-bromopyridin-4-yl)amino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)NC(=NCC=C(C)C)N

DOS

IR

Vibrations