Geometry & MOs

Info

ID:	438954
PubChem CID:	135228715
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	325.251798
ΔH_f, kcal/mol:	-126.4
Dipole, Da:	10.18
IP(EA), eV:	-8.67(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a-methyl-5-(2-piperidin-4-ylpentyl)-5,9a-dihydroimidazo[5,1-a]isoindole

Drug info:

PubChemData

Smile

CC(=C)/C=C(/C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=O)O)C(C)(C)C)OC)\N(C)C

DOS

IR

Vibrations