Geometry & MOs

Info

ID:	439030
PubChem CID:	135228793
Reduced:	F2O2N4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	4.2
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations