Geometry & MOs

Info

ID:	379911
PubChem CID:	134964200
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	4.03
IP(EA), eV:	-7.67(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1/C=C\2/[C@H](CC=C2C)CC(=O)C

DOS

IR

Vibrations