Geometry & MOs

Info

ID:	310054
PubChem CID:	126573357
Reduced:	N2O5C25H40 (1)
Stoich.:	A2B5C25D40 (1)
Weight, g/mol:	372.222449
ΔH_f, kcal/mol:	-158.14
Dipole, Da:	5.82
IP(EA), eV:	-9.13(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxaspiro[2.5]octan-6-yl 3-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CCC5)OC)C

DOS

IR

Vibrations