Geometry & MOs

Info

ID:	52714
PubChem CID:	12015753
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	2.01
IP(EA), eV:	-9.71(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,9S,13R)-3-oxa-1-azatricyclo[7.3.1.05,13]tridecane

Drug info:

PubChemData

Smile

C=C[C@@H]1CC[C@@H]2C=CCC([C@@H]2C1)O

DOS

IR

Vibrations