Geometry & MOs

Info

ID:	157247
PubChem CID:	56422447
Reduced:	FN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	464.194772
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	4.61
IP(EA), eV:	-8.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-fluoro-2-piperidin-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3CC4=CC=CC=C4OC3

DOS

IR

Vibrations