Geometry & MOs

Info

ID:	57095
PubChem CID:	22395330
Reduced:	N2O6H14C19 (1)
Stoich.:	A2B6C14D19 (1)
Weight, g/mol:	511.07428
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	4.47
IP(EA), eV:	-8.49(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-4,5-dimethoxyphenyl)-7-(dimethylamino)-2-(2,5-dioxopyrrolidin-1-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OOC2)C3C4=CC5=C(C=C4OC(=C3C#N)N)OCO5

DOS

IR

Vibrations