Geometry & MOs

Info

ID:	65292
PubChem CID:	29211931
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	103.92
Dipole, Da:	7.46
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1,3-dioxo-N-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C=COCCSC1=NNC(=N1)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations