Geometry & MOs

Info

ID:	266532
PubChem CID:	103569304
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	3.73
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=C(C=CC(=C2)F)C(=O)OC

DOS

IR

Vibrations