Geometry & MOs

Info

ID:	51905
PubChem CID:	12014670
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	2.79
IP(EA), eV:	-9.08(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4E,7E,11S)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H](C[C@H]([C@@H](C1)C2=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations