Geometry & MOs

Info

ID:	400073
PubChem CID:	135045036
Reduced:	FN2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	25.16
Dipole, Da:	1.81
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)[18F]

DOS

IR

Vibrations