Geometry & MOs

Info

ID:	343503
PubChem CID:	127266676
Reduced:	OSN5C10H13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	339.105543
ΔH_f, kcal/mol:	22.11
Dipole, Da:	1.03
IP(EA), eV:	-9.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)NCCN2C=NC=CC2=O

DOS

IR

Vibrations