Geometry & MOs

Info

ID:	255188
PubChem CID:	103130576
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-61.05
Dipole, Da:	4.83
IP(EA), eV:	-8.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-2-phenoxyethanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=C(C(=C2)Cl)OC)OC)O

DOS

IR

Vibrations