Geometry & MOs

Info

ID:	357346
PubChem CID:	127293979
Reduced:	F2N3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	380.14601
ΔH_f, kcal/mol:	-237.73
Dipole, Da:	4.77
IP(EA), eV:	-9.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C(=O)CCC3C(=O)N(C(=O)N3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations