Geometry & MOs

Info

ID:	340519
PubChem CID:	127262530
Reduced:	FNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	184.084792
ΔH_f, kcal/mol:	-117.94
Dipole, Da:	2.2
IP(EA), eV:	-9.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxybutan-2-yl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)OC(=O)C2=CNN=C2

DOS

IR

Vibrations