Geometry & MOs

Info

ID:	293993
PubChem CID:	117421390
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	267.067762
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	6.67
IP(EA), eV:	-9.5(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-1H-pyrazol-5-yl)-2-methyl-4-methylsulfonylphenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)O)C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations