Geometry & MOs

Info

ID:	343524
PubChem CID:	127266697
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	338.110294
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	2.49
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=NC(=CC=C2)CO

DOS

IR

Vibrations