Geometry & MOs

Info

ID:	188595
PubChem CID:	77740021
Reduced:	ClON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	625.17875
ΔH_f, kcal/mol:	14.47
Dipole, Da:	8.82
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-naphthalen-2-ylpiperidin-1-yl)-3-[[2-(5-propan-2-yloxy-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrate;hydrobromide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NC2CCC(=C3C=CC(=O)N=C3)C2

DOS

IR

Vibrations