Geometry & MOs

Info

ID:	89980
PubChem CID:	49965728
Reduced:	NO5C31H41 (1)
Stoich.:	AB5C31D41 (1)
Weight, g/mol:	499.283492
ΔH_f, kcal/mol:	-148.41
Dipole, Da:	3.94
IP(EA), eV:	-8.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-2-amino-4-(2-butoxyphenyl)-8-[(2-butoxyphenyl)methylidene]-6-methyl-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)OCC)/CN(C2)CC)OCC

DOS

IR

Vibrations