Geometry & MOs

Info

ID:	68344
PubChem CID:	46508226
Reduced:	F3N5O5C20H20 (1)
Stoich.:	A3B5C5D20E20 (1)
Weight, g/mol:	419.120524
ΔH_f, kcal/mol:	-268.22
Dipole, Da:	12.36
IP(EA), eV:	-9.17(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)ethyl 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(=CC(=C3)OC)OC

DOS

IR

Vibrations