Geometry & MOs

Info

ID:	355999
PubChem CID:	127290989
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	2.74
IP(EA), eV:	-9.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thian-4-yl)-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=NC=CC(=C2)CNC(=O)NC3CCCOC3

DOS

IR

Vibrations