Geometry & MOs

Info

ID:	124535
PubChem CID:	50887152
Reduced:	ClN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	517.02733
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	4.88
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-benzyl-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])C=NNC2=CC=C(C=C2)Cl

DOS

IR

Vibrations