Geometry & MOs

Info

ID:	424318
PubChem CID:	135122178
Reduced:	ClNO2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	15.67
Dipole, Da:	4.15
IP(EA), eV:	-9.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxy-2-nitroanilino)-1-methylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C#CC(=O)OC1=CN=C(C=C1)Cl

DOS

IR

Vibrations