Geometry & MOs

Info

ID:	15440
PubChem CID:	442080
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-185.28
Dipole, Da:	1.34
IP(EA), eV:	-9.45(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3aS,8aR)-1-[5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]2(CC(=CCC[C@@H]2[C@]1(CCC(=CCO)CO)CO)C)C=O

DOS

IR

Vibrations