Geometry & MOs

Info

ID:	120915
PubChem CID:	50750645
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	411.089831
ΔH_f, kcal/mol:	0.26
Dipole, Da:	8.19
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN3C(=O)C=C(N(C3=N2)CC(=O)N4CCN(CC4)C)C

DOS

IR

Vibrations