Geometry & MOs

Info

ID:	29452
PubChem CID:	833885
Reduced:	ClNO3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	2.64
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)phenyl]imino-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations