Geometry & MOs

Info

ID:	383017
PubChem CID:	134974505
Reduced:	NO2H9C16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	420.12738
ΔH_f, kcal/mol:	8.7
Dipole, Da:	7.32
IP(EA), eV:	-9.24(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,3aS)-3-(iodomethyl)-2,5,5'-trimethyl-2'-propan-2-ylspiro[3,3a-dihydro-2H-imidazo[1,5-b][1,2]oxazole-6,1'-cyclohexane]-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC3=C2C4=CC=CC=C4OC3=O

DOS

IR

Vibrations