Geometry & MOs

Info

ID:	296653
PubChem CID:	117587483
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-76.05
Dipole, Da:	5.28
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(E)-3-phenylprop-2-enoyl]azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2C3CCC2C4=CN=CN=C4C3

DOS

IR

Vibrations