Geometry & MOs

Info

ID:	355858
PubChem CID:	127290710
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-146.43
Dipole, Da:	2.6
IP(EA), eV:	-8.81(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NCC2COC3=CC=CC=C3O2

DOS

IR

Vibrations