Geometry & MOs

Info

ID:	448550
PubChem CID:	135291787
Reduced:	ClFO2N3C17H31 (1)
Stoich.:	ABC2D3E17F31 (1)
Weight, g/mol:	371.269654
ΔH_f, kcal/mol:	-163.9
Dipole, Da:	6.93
IP(EA), eV:	-8.79(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-cycloheptyl-1,2,4-triazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCCN1C(CC(N1)Cl)C(=O)N2CC[C@@H]([C@@H](C2)F)OC(C)C

DOS

IR

Vibrations