Geometry & MOs

Info

ID:	324225
PubChem CID:	126677185
Reduced:	SF3O3N6C32H33 (1)
Stoich.:	AB3C3D6E32F33 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	-180.74
Dipole, Da:	2.06
IP(EA), eV:	-8.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(hydroxymethyl)-2-(oxan-2-yl)pyrazol-3-yl]-methoxymethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(NC3=CC(=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)C)O

DOS

IR

Vibrations