Geometry & MOs

Info

ID:	124563
PubChem CID:	50887454
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	242.001368
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	6.85
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dichlorophenyl)-5-methyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=O)C)OC

DOS

IR

Vibrations