Geometry & MOs

Info

ID:	382971
PubChem CID:	134974429
Reduced:	N3O7C13H19 (1)
Stoich.:	A3B7C13D19 (1)
Weight, g/mol:	298.214409
ΔH_f, kcal/mol:	-254.75
Dipole, Da:	3.65
IP(EA), eV:	-10.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5R,6S,7E,9S,10R,11S)-6,12-dihydroxy-10-methoxy-5,7,9,11-tetramethyldodeca-3,7-dien-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(O[C@@H](C(C1OC(=O)C)OC(=O)C)N=[N+]=[N-])COC(=O)C

DOS

IR

Vibrations