Geometry & MOs

Info

ID:	283697
PubChem CID:	103998996
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	11.76
Dipole, Da:	2.19
IP(EA), eV:	-9.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(CN1)C=C(C=C2)C(=O)NCC3=CC=C(S3)Cl

DOS

IR

Vibrations