Geometry & MOs

Info

ID:	217272
PubChem CID:	85087540
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-231.08
Dipole, Da:	3.72
IP(EA), eV:	-10.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-9a-(3-hydroxyprop-1-en-2-yl)-3a,5a-dimethyl-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[7,6-b]furan-2,8-dione

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC(=O)C2CCC3=CCOC3=O)(C)C(=O)OC

DOS

IR

Vibrations