Geometry & MOs

Info

ID:	388778
PubChem CID:	134990173
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	488.313789
ΔH_f, kcal/mol:	-71.41
Dipole, Da:	3.91
IP(EA), eV:	-9.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'R,3'aR,6'aS)-1'-[(E,3S)-4-methyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-2'-(oxan-2-yloxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

Drug info:

PubChemData

Smile

CCOC(=O)CC(C#N)C1=CC=C(C=C1)C2CCCCC2

DOS

IR

Vibrations