Geometry & MOs

Info

ID:	417827
PubChem CID:	135102874
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	4.71
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=COC(=N3)CN)O

DOS

IR

Vibrations