Geometry & MOs

Info

ID:	432577
PubChem CID:	135172710
Reduced:	O2F3N4C27H29 (1)
Stoich.:	A2B3C4D27E29 (1)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-168.78
Dipole, Da:	4.25
IP(EA), eV:	-8.82(-0.72)
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-(3-methoxy-N-methylanilino)acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations