Geometry & MOs

Info

ID:	24163
PubChem CID:	608125
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-203.25
Dipole, Da:	2.54
IP(EA), eV:	-9.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one

Drug info:

PubChemData

Smile

CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)O)O

DOS

IR

Vibrations