Geometry & MOs

Info

ID:	11891
PubChem CID:	122735
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-174.9
Dipole, Da:	5.7
IP(EA), eV:	-9.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5S,6R)-5-hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCC=CC=C[C@@H]1C[C@H]([C@H](C(=O)[C@H]1CO)O)O

DOS

IR

Vibrations