Geometry & MOs

Info

ID:	296654
PubChem CID:	117587517
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	5.12
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CCC2C1C(=O)N(C2=O)C3CN(C3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations