Geometry & MOs

Info

ID:	341772
PubChem CID:	127264465
Reduced:	SiO4C22H40 (1)
Stoich.:	AB4C22D40 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-281.55
Dipole, Da:	4.18
IP(EA), eV:	-8.97(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,5R,6aR)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

CCCCC[C@](C)(/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations