Geometry & MOs

Info

ID:	435019
PubChem CID:	135177625
Reduced:	N5C38H45 (1)
Stoich.:	A5B38C45 (1)
Weight, g/mol:	461.304228
ΔH_f, kcal/mol:	121.4
Dipole, Da:	2.36
IP(EA), eV:	-8.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-butylpiperidin-1-yl)propyl]-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCCCN(C)C1=NC2=CC=CC=C2C(N1C3=CC=C(C=C3)C4=CC=CC=C4)CC(=C)NCC5=CC=CC=C5

DOS

IR

Vibrations