Geometry & MOs

Info

ID:	394753
PubChem CID:	135023694
Reduced:	O2N4H14C25 (1)
Stoich.:	A2B4C14D25 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	115.16
Dipole, Da:	9.16
IP(EA), eV:	-9.67(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl (2R,5S,6S,7S)-3-benzyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxylate

Drug info:

PubChemData

Smile

C1C2=CC3=C(CC(C(C3)(C#N)C#N)(C#N)C#N)C=C2CC14C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations