Geometry & MOs

Info

ID:	438806
PubChem CID:	135228563
Reduced:	NC16H23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	318.174356
ΔH_f, kcal/mol:	17.55
Dipole, Da:	1.23
IP(EA), eV:	-9.02(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCC(C)C1=CC=CC=C1/C(=C/N=CC)/C

DOS

IR

Vibrations