Geometry & MOs

Info

ID:	228925
PubChem CID:	87566258
Reduced:	O6C13H28 (1)
Stoich.:	A6B13C28 (1)
Weight, g/mol:	534.142316
ΔH_f, kcal/mol:	-309.69
Dipole, Da:	5.75
IP(EA), eV:	-10.46(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]methylidene]-4-sulfanylpiperidin-1-yl]ethanone;dihydrochloride

Drug info:

PubChemData

Smile

CCCCOC(C)C(=O)O.CC(CO)OCC(C)O

DOS

IR

Vibrations