Geometry & MOs

Info

ID:	388848
PubChem CID:	134990402
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	2.54
IP(EA), eV:	-8.76(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-1-[(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]-2-benzyl-4,5-dihydroxypentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C[C@H]3C[C@H](CN[C@@H]3C2)C(=O)OC

DOS

IR

Vibrations