Geometry & MOs

Info

ID:	57772
PubChem CID:	24277213
Reduced:	OCl2N2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	235.070539
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	3.43
IP(EA), eV:	-8.87(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1N)CCCC(C2=CC(=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations