Geometry & MOs

Info

ID:	136762
PubChem CID:	52096404
Reduced:	O3N5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	451.165582
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	8.5
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenoxy)-N-[2-[(7-oxo-1-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C=NC2=NC(=CC(=O)N21)COC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations