Geometry & MOs

Info

ID:	432578
PubChem CID:	135172712
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	446.211804
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	3.56
IP(EA), eV:	-8.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-fluoro-N-methylanilino)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations