Geometry & MOs

Info

ID:	399140
PubChem CID:	135038115
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	153.12794
ΔH_f, kcal/mol:	-163.19
Dipole, Da:	3.09
IP(EA), eV:	-9.41(0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2E)-3,7-dimethylocta-2,6-dienylidene]oxidanium

Drug info:

PubChemData

Smile

CCC[C@H]1CC[C@H]([C@@H](N1)C(=O)OCC)O

DOS

IR

Vibrations