Geometry & MOs

Info

ID:	76621
PubChem CID:	48425158
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	400.172225
ΔH_f, kcal/mol:	-265.52
Dipole, Da:	3.77
IP(EA), eV:	-8.72(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CCC(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations