Geometry & MOs

Info

ID:	402776
PubChem CID:	135057217
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	1.94
IP(EA), eV:	-9.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C(=C)C(C)(C)O

DOS

IR

Vibrations