Geometry & MOs

Info

ID:	380616
PubChem CID:	134971108
Reduced:	NO6C10H21 (1)
Stoich.:	AB6C10D21 (1)
Weight, g/mol:	378.204239
ΔH_f, kcal/mol:	-269.49
Dipole, Da:	4.62
IP(EA), eV:	-9.39(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3Z)-4-acetyloxy-3-(acetyloxymethylidene)-5-(2,2-dimethyl-6-methylidenecyclohexyl)pent-1-enyl] acetate

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@H](C(O1)CO)O)OCCCN)O

DOS

IR

Vibrations