Geometry & MOs

Info

ID:	425920
PubChem CID:	135131750
Reduced:	FO2N4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	10.99
IP(EA), eV:	-9.46(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,4'aR,8'aR)-4'a,7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-1H-naphthalene]-2'-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CCC3=C([C@@]2(C=C(C1=O)C#N)C)N=C(N=C3OC4CCCC4)C5=C6C=CC=C(C6=NC=C5)F

DOS

IR

Vibrations