Geometry & MOs

Info

ID:	120916
PubChem CID:	50750676
Reduced:	ClFO2N5H15C20 (1)
Stoich.:	ABC2D5E15F20 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	3.96
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=NC(=N2)C3=CC=CC=C3Cl)N1CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations