Geometry & MOs

Info

ID:	398763
PubChem CID:	135035292
Reduced:	FNO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	7.43
IP(EA), eV:	-9.65(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'aS,7'aS)-3'a-(3,4-dimethoxyphenyl)-1'-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydro-3H-indole]-2'-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[18F])[N+](=O)[O-]

DOS

IR

Vibrations