Geometry & MOs

Info

ID:	310783
PubChem CID:	126587511
Reduced:	BrON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	2.08
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1,5-dimethyl-6-oxopyridin-3-yl)-2-(methylamino)-3-nitrophenyl]propanal

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2N)Br

DOS

IR

Vibrations