Geometry & MOs

Info

ID:	20889
PubChem CID:	586273
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-121.19
Dipole, Da:	4.31
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hydroxy-2,6,6,14,17-pentamethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-3,13-diene-5,11-dione

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)OC3C2(C(CC1)C4(C=CC(=O)C(C4C3)(C)C)C)C)O

DOS

IR

Vibrations