Geometry & MOs

Info

ID:	439111
PubChem CID:	135228875
Reduced:	FN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	382.166826
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	5.29
IP(EA), eV:	-9.18(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(trifluoromethyl)cycloheptyl]ethanol

Drug info:

PubChemData

Smile

C1CC(=O)C=CC1C(CC2C3=C(C=CC=C3F)C4=CN=CN24)O

DOS

IR

Vibrations