Geometry & MOs

Info

ID:	245914
PubChem CID:	103028011
Reduced:	SN2O3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-111.27
Dipole, Da:	6.28
IP(EA), eV:	-9.39(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C(CCC1=CC=NN1C)O)S(=O)(=O)C

DOS

IR

Vibrations