Geometry & MOs

Info

ID:	130771
PubChem CID:	51104552
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	3.87
IP(EA), eV:	-8.89(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methoxy]-3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=CS1)N2CCC(CC2)C3=CC=NN3CCO

DOS

IR

Vibrations