Geometry & MOs

Info

ID:	80882
PubChem CID:	49846725
Reduced:	O2F3N4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	419.106846
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	3.52
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CN=C(C=N1)OCC(F)(F)F)NC(=O)[C@H]2C[C@@H]2C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations