Geometry & MOs

Info

ID:	172519
PubChem CID:	75520551
Reduced:	NSO3F4C11H13 (1)
Stoich.:	ABC3D4E11F13 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-303.0
Dipole, Da:	4.7
IP(EA), eV:	-10.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CN(CC(F)F)S(=O)(=O)C1=CC=C(C=C1)OCC(F)F

DOS

IR

Vibrations