Geometry & MOs

Info

ID:	442317
PubChem CID:	135251311
Reduced:	N3O3F4C15H19 (1)
Stoich.:	A3B3C4D15E19 (1)
Weight, g/mol:	392.192292
ΔH_f, kcal/mol:	-302.26
Dipole, Da:	4.51
IP(EA), eV:	-9.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2-[(2-cyclopropylacetyl)-methylamino]-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(C2)N3C=C(C=N3)F)C(=O)O[C@H](CO)C(F)(F)F

DOS

IR

Vibrations