Geometry & MOs

Info

ID:	439165
PubChem CID:	135228930
Reduced:	O2N4C31H42 (1)
Stoich.:	A2B4C31D42 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	6.27
IP(EA), eV:	-7.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-piperidin-1-ylethanol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C2=CN(C(N=C2)NCC3CC3)C)CCC(C)C)C4=CC(=C)C(=CN4)C(=O)OCC

DOS

IR

Vibrations