Geometry & MOs

Info

ID:	188593
PubChem CID:	77739303
Reduced:	FN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	521.148426
ΔH_f, kcal/mol:	-157.16
Dipole, Da:	2.63
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CC1CC1C2=CNC3=C2C=C(C=C3)F.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations