Geometry & MOs

Info

ID:	27851
PubChem CID:	823921
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	300.066555
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	5.23
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aR,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=CC(=O)N3CCOCC3)N1)C

DOS

IR

Vibrations