Geometry & MOs

Info

ID:	335716
PubChem CID:	127254578
Reduced:	ClNSO4H10C14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-115.82
Dipole, Da:	6.89
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC=C(S3)Cl)CC(=O)O)C(=O)N1

DOS

IR

Vibrations