Geometry & MOs

Info

ID:	124444
PubChem CID:	50883861
Reduced:	ClN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	440.99603
ΔH_f, kcal/mol:	47.75
Dipole, Da:	1.77
IP(EA), eV:	-8.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NN=CC2=CC(=C(C=C2)OCC#C)OC)Cl

DOS

IR

Vibrations