Geometry & MOs

Info

ID:	44067
PubChem CID:	10500646
Reduced:	BrN2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	391.080435
ΔH_f, kcal/mol:	74.01
Dipole, Da:	2.86
IP(EA), eV:	-8.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl)chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CNC(C2=C1C3=C(N2)C(=CC=C3)Br)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations