Geometry & MOs

Info

ID:	432553
PubChem CID:	135172686
Reduced:	O3N4H26C28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	6.21
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C(=O)COC5=CC6=C(C=C5)N=CC=C6

DOS

IR

Vibrations