Geometry & MOs

Info

ID:	432638
PubChem CID:	135172774
Reduced:	O2N5C29H31 (1)
Stoich.:	A2B5C29D31 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	18.43
Dipole, Da:	6.69
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]piperidin-1-yl]-2-oxoethyl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC6=C(C=C5)N=CC=C6

DOS

IR

Vibrations