Geometry & MOs

Info

ID:	387399
PubChem CID:	134985233
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	321.185942
ΔH_f, kcal/mol:	64.43
Dipole, Da:	4.86
IP(EA), eV:	-9.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidine

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](N1C)C#N)C2=CC=CC=C2

DOS

IR

Vibrations