Geometry & MOs

Info

ID:	68411
PubChem CID:	46508361
Reduced:	ClF3O4N5H17C19 (1)
Stoich.:	AB3C4D5E17F19 (1)
Weight, g/mol:	427.183124
ΔH_f, kcal/mol:	-231.84
Dipole, Da:	8.81
IP(EA), eV:	-8.74(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylamino)-1-oxopropan-2-yl] 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)OCC(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations