Geometry & MOs

Info

ID:	1231
PubChem CID:	4021
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	10.59
Dipole, Da:	3.55
IP(EA), eV:	-8.66(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations