Geometry & MOs

Info

ID:	145415
PubChem CID:	53521025
Reduced:	FSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	6.62
IP(EA), eV:	-9.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CO1)CN(C)C(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

DOS

IR

Vibrations