Geometry & MOs

Info

ID:	1735
PubChem CID:	4962
Reduced:	O3C11H15 (2)
Stoich.:	A3B11C15 (2)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	-248.35
Dipole, Da:	5.1
IP(EA), eV:	-9.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate

Drug info:

PubChemData

Smile

CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C

DOS

IR

Vibrations