Geometry & MOs

Info

ID:	45961
PubChem CID:	10519800
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-189.31
Dipole, Da:	1.47
IP(EA), eV:	-10.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,7S)-1,7-dimethyl-3-(2-methylphenyl)-5-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1C/C(=C\C#C)/C(=O)N1C(=O)OC(C)(C)C

DOS

IR

Vibrations