Geometry & MOs

Info

ID:	76619
PubChem CID:	48425156
Reduced:	N2F3O4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	413.20386
ΔH_f, kcal/mol:	-302.48
Dipole, Da:	2.02
IP(EA), eV:	-8.9(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations