Geometry & MOs

Info

ID:	294293
PubChem CID:	117451242
Reduced:	NO6C13H15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-223.26
Dipole, Da:	6.79
IP(EA), eV:	-9.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-2-methylsulfonylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)C2CC(CN2)C(=O)O)C(=O)O

DOS

IR

Vibrations