Geometry & MOs

Info

ID:	28877
PubChem CID:	830207
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	16.21
Dipole, Da:	5.64
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3OC

DOS

IR

Vibrations