Geometry & MOs

Info

ID:	293399
PubChem CID:	117387071
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	253.061804
ΔH_f, kcal/mol:	-30.64
Dipole, Da:	4.08
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-4-methylbenzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2=C(NN=C2)N)OC)O)Cl

DOS

IR

Vibrations