Geometry & MOs

Info

ID:	23675
PubChem CID:	605366
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	4.58
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=O)C2

DOS

IR

Vibrations