Geometry & MOs

Info

ID:	130625
PubChem CID:	51091800
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	342.141594
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	2.29
IP(EA), eV:	-9.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(=O)CCNC(=O)CSCC2=CC=NC=C2

DOS

IR

Vibrations