Geometry & MOs

Info

ID:	371531
PubChem CID:	127346815
Reduced:	FN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	316.11471
ΔH_f, kcal/mol:	-171.46
Dipole, Da:	6.07
IP(EA), eV:	-8.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxabicyclo[2.2.1]heptan-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC(=C(C=C3)NCC4CCCO4)F

DOS

IR

Vibrations