Geometry & MOs

Info

ID:	24789
PubChem CID:	613428
Reduced:	O3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	362.172939
ΔH_f, kcal/mol:	-242.86
Dipole, Da:	3.34
IP(EA), eV:	-9.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10a-hydroxy-3a-methoxy-2,10-dimethyl-3,8-dioxo-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-5-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1CC(=O)CC2C1(C3C=C(C(=O)C3(CC(=C2)COC(=O)C)OC)C)O

DOS

IR

Vibrations