Geometry & MOs

Info

ID:	253469
PubChem CID:	103118643
Reduced:	ClN5H12C13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	96.17
Dipole, Da:	5.34
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-methylphenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C(=NN2)N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations