Geometry & MOs

Info

ID:	123543
PubChem CID:	50853315
Reduced:	ClFON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	357.185942
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	2.67
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol;hydrochloride

Drug info:

PubChemData

Smile

C1CN(C(CN1)CCO)CCC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations