Geometry & MOs

Info

ID:	64839
PubChem CID:	29204075
Reduced:	ClON3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-23.03
Dipole, Da:	5.63
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl)C

DOS

IR

Vibrations