Geometry & MOs

Info

ID:	449178
PubChem CID:	135296601
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	209.21435
ΔH_f, kcal/mol:	-24.16
Dipole, Da:	0.83
IP(EA), eV:	-8.22(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-3-azabicyclo[4.4.1]undecane

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)CO)/O/C(=C/C=C(C)C)/C=C

DOS

IR

Vibrations