Geometry & MOs

Info

ID:	24250
PubChem CID:	608775
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	2.98
IP(EA), eV:	-8.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-5-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)CC(=N2)C

DOS

IR

Vibrations