Geometry & MOs

Info

ID:	1052
PubChem CID:	3719
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-173.52
Dipole, Da:	3.97
IP(EA), eV:	-9.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one

Drug info:

PubChemData

Smile

CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)CO

DOS

IR

Vibrations