Geometry & MOs

Info

ID:	154160
PubChem CID:	56313561
Reduced:	BrO2N6H19C23 (1)
Stoich.:	AB2C6D19E23 (1)
Weight, g/mol:	491.0593
ΔH_f, kcal/mol:	45.49
Dipole, Da:	3.85
IP(EA), eV:	-9.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br)C

DOS

IR

Vibrations