Geometry & MOs

Info

ID:	205506
PubChem CID:	80114553
Reduced:	SO2N3C8H15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	269.063426
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	6.22
IP(EA), eV:	-9.25(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-4-methylsulfonylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(C=N1)S(=O)(=O)C)N

DOS

IR

Vibrations