Geometry & MOs

Info

ID:	85210
PubChem CID:	49872438
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-3.84
Dipole, Da:	2.76
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-heptylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

DOS

IR

Vibrations