Geometry & MOs

Info

ID:	156634
PubChem CID:	56371461
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	495.20055
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	6.12
IP(EA), eV:	-8.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1CCC2=CC(=C(C=C2)OC)OC)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations