Geometry & MOs

Info

ID:	23563
PubChem CID:	604685
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	0.65
Dipole, Da:	3.76
IP(EA), eV:	-9.3(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=NNC2=O)C

DOS

IR

Vibrations