Geometry & MOs

Info

ID:	420873
PubChem CID:	135114954
Reduced:	FSO3N5C15H20 (1)
Stoich.:	ABC3D5E15F20 (1)
Weight, g/mol:	355.161995
ΔH_f, kcal/mol:	-113.77
Dipole, Da:	9.15
IP(EA), eV:	-9.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CCNC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)F)C

DOS

IR

Vibrations