Geometry & MOs

Info

ID:	145915
PubChem CID:	53611788
Reduced:	FN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	5.16
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)F)NC2=CC(=CC=C2)NC(=O)CO

DOS

IR

Vibrations