Geometry & MOs

Info

ID:	58468
PubChem CID:	24701935
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	5.41
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=N2)OC

DOS

IR

Vibrations