Geometry & MOs

Info

ID:	68396
PubChem CID:	46508334
Reduced:	ON2F3H7C9 (2)
Stoich.:	AB2C3D7E9 (2)
Weight, g/mol:	432.027074
ΔH_f, kcal/mol:	-311.01
Dipole, Da:	8.82
IP(EA), eV:	-10.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chlorothiophen-2-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)OCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations