Geometry & MOs

Info

ID:	127668
PubChem CID:	51010638
Reduced:	ClNOC8H8 (1)
Stoich.:	ABCD8E8 (1)
Weight, g/mol:	339.199843
ΔH_f, kcal/mol:	5.83
Dipole, Da:	3.57
IP(EA), eV:	-10.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-3-[(4-fluorophenyl)-(3-methylphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

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C[C@@]12C=C[C@H](O1)CC2(C#N)Cl

DOS

IR

Vibrations