Geometry & MOs

Info

ID:	127568
PubChem CID:	51006724
Reduced:	FN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	376.188589
ΔH_f, kcal/mol:	-149.96
Dipole, Da:	6.77
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-5-[[(4R)-5,5-dimethyl-2-oxo-1,3-dioxolan-4-yl]methyl]-8,8-dimethyl-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1[C@@H]([C@@H]2C(=O)O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations