Geometry & MOs

Info

ID:	90019
PubChem CID:	49965830
Reduced:	NO5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	419.180919
ΔH_f, kcal/mol:	-130.02
Dipole, Da:	4.2
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-propan-2-yl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCC)OC)/CN(C2)C)OC

DOS

IR

Vibrations