Geometry & MOs

Info

ID:	297069
PubChem CID:	117607570
Reduced:	ON4F6H16C20 (1)
Stoich.:	AB4C6D16E20 (1)
Weight, g/mol:	380.14601
ΔH_f, kcal/mol:	-267.8
Dipole, Da:	3.0
IP(EA), eV:	-9.85(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2C(F)(F)F)C(=O)C3=NN=C4N3C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations