Geometry & MOs

Info

ID:	383158
PubChem CID:	134974724
Reduced:	NO4C21H37 (1)
Stoich.:	AB4C21D37 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-234.18
Dipole, Da:	3.56
IP(EA), eV:	-9.46(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,3aS)-3-(hydroxymethyl)-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

CCCCC1(C=C2CCCCCCC2O1)[C@H](CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations