Geometry & MOs

Info

ID:	124594
PubChem CID:	50888683
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	8.13
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-4-ethyl-5-methyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(N2)C)CC(=O)O

DOS

IR

Vibrations