Geometry & MOs

Info

ID:	225403
PubChem CID:	85756728
Reduced:	OC12H15 (4)
Stoich.:	AB12C15 (4)
Weight, g/mol:	220.02081
ΔH_f, kcal/mol:	-149.95
Dipole, Da:	1.9
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C5C(=O)OCCOCCOC)CCCCCCCC

DOS

IR

Vibrations