Geometry & MOs

Info

ID:	68372
PubChem CID:	46508287
Reduced:	F3N4O4C19H19 (1)
Stoich.:	A3B4C4D19E19 (1)
Weight, g/mol:	394.125275
ΔH_f, kcal/mol:	-221.16
Dipole, Da:	8.26
IP(EA), eV:	-8.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OCCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations