Geometry & MOs

Info

ID:	159528
PubChem CID:	57288420
Reduced:	O2F4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	379.181526
ΔH_f, kcal/mol:	-297.09
Dipole, Da:	4.84
IP(EA), eV:	-10.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(5-chloro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]ethyl]-1H-indole

Drug info:

PubChemData

Smile

CC(=CC(C)(C)C(C(F)F)(F)F)C(=O)O

DOS

IR

Vibrations