Geometry & MOs

Info

ID:	409615
PubChem CID:	135082397
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-127.0
Dipole, Da:	5.7
IP(EA), eV:	-10.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-6,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione

Drug info:

PubChemData

Smile

C#C[C@]1(CCC2C(C1)CC(=O)OC2=O)O

DOS

IR

Vibrations