Geometry & MOs

Info

ID:	439257
PubChem CID:	135229024
Reduced:	O5N6H28C30 (1)
Stoich.:	A5B6C28D30 (1)
Weight, g/mol:	331.169605
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	11.2
IP(EA), eV:	-8.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCC5=CC(=NC=C5)NC(=O)COC

DOS

IR

Vibrations