Geometry & MOs

Info

ID:	218604
PubChem CID:	85089674
Reduced:	FN3O4H20C28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	482.12767
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	3.93
IP(EA), eV:	-8.83(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)N=C4C=C(C=CC4=N3)C(=O)NCC5=CC=CC=C5F)O

DOS

IR

Vibrations