Geometry & MOs

Info

ID:	68355
PubChem CID:	46508245
Reduced:	F3O4N6C15H17 (1)
Stoich.:	A3B4C6D15E17 (1)
Weight, g/mol:	437.167474
ΔH_f, kcal/mol:	-267.09
Dipole, Da:	6.78
IP(EA), eV:	-10.33(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 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)OC(C)C(=O)NC(=O)NC

DOS

IR

Vibrations