Geometry & MOs

Info

ID:	310386
PubChem CID:	126579587
Reduced:	FSN2O4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-118.26
Dipole, Da:	3.25
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-methylphenyl)methoxy]-1-hydroxypyrazole

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=C(C(=CC=C1)SCF)COC2=NN(C=C2)O

DOS

IR

Vibrations