Geometry & MOs

Info

ID:	23554
PubChem CID:	604673
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	7.96
Dipole, Da:	4.75
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(NN(C1=O)C2=CC=CC=C2)C

DOS

IR

Vibrations