Geometry & MOs

Info

ID:	432676
PubChem CID:	135172812
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	2.25
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N2CCC(CC2)C(CC3C4=CC=CC=C4C5=CN=CN35)O)C

DOS

IR

Vibrations