Geometry & MOs

Info

ID:	68395
PubChem CID:	46508333
Reduced:	F3O3N5C20H20 (1)
Stoich.:	A3B3C5D20E20 (1)
Weight, g/mol:	432.102095
ΔH_f, kcal/mol:	-191.5
Dipole, Da:	12.44
IP(EA), eV:	-10.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)COC(=O)CC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C

DOS

IR

Vibrations