Geometry & MOs

Info

ID:	360372
PubChem CID:	127301017
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	6.31
IP(EA), eV:	-9.08(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCCN2C(=O)CC3=CC=CS3)N4C=NC=N4

DOS

IR

Vibrations