Geometry & MOs

Info

ID:	371533
PubChem CID:	127346820
Reduced:	O2N5F6C13H13 (1)
Stoich.:	A2B5C6D13E13 (1)
Weight, g/mol:	366.116442
ΔH_f, kcal/mol:	-354.3
Dipole, Da:	5.53
IP(EA), eV:	-10.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1C(=O)N2CCN3C(=NN=C3C(F)(F)F)C2)C(F)(F)F

DOS

IR

Vibrations