Geometry & MOs

Info

ID:	391028
PubChem CID:	135002332
Reduced:	N5H19C28 (1)
Stoich.:	A5B19C28 (1)
Weight, g/mol:	436.188589
ΔH_f, kcal/mol:	205.61
Dipole, Da:	1.87
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 6-oxo-4-pentyl-2H-pyran-3,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C(C(=NC3=CC4=C(C=C3)NC=C4)[C@H]5N2C=CC6=CC=CC=C56)(C#N)C#N

DOS

IR

Vibrations