Geometry & MOs

Info

ID:	68401
PubChem CID:	46508344
Reduced:	F3O4N5H20C21 (1)
Stoich.:	A3B4C5D20E21 (1)
Weight, g/mol:	401.167474
ΔH_f, kcal/mol:	-235.08
Dipole, Da:	9.75
IP(EA), eV:	-9.53(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylamino)-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)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations