Geometry & MOs

Info

ID:	370736
PubChem CID:	127340063
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-13.35
Dipole, Da:	4.06
IP(EA), eV:	-9.3(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)C(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations