Geometry & MOs

Info

ID:	295723
PubChem CID:	117543422
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	4.89
IP(EA), eV:	-7.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxyphenyl)-3-hydroxy-2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1)C2=CC=C(C=C2)N(C)C)O

DOS

IR

Vibrations