Geometry & MOs

Info

ID:	45962
PubChem CID:	10519803
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	3.61
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@]2(C(=O)N(C(=O)[C@]1(O2)C3=CC=CC=C3)C4=CC=CC=C4C)C

DOS

IR

Vibrations