Geometry & MOs

Info

ID:	175657
PubChem CID:	75931675
Reduced:	F3O3N4C22H25 (1)
Stoich.:	A3B3C4D22E25 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-205.17
Dipole, Da:	2.86
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propyl)amino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide

Drug info:

PubChemData

Smile

CCCC(C1=NN=C2N1C=CC=C2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations