Geometry & MOs

Info

ID:	143400
PubChem CID:	53203332
Reduced:	ClON5C16H22 (1)
Stoich.:	ABC5D16E22 (1)
Weight, g/mol:	419.156909
ΔH_f, kcal/mol:	2.85
Dipole, Da:	2.3
IP(EA), eV:	-9.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCCN(C1)C2=NN=C3N2C=C(C=C3)Cl

DOS

IR

Vibrations