Geometry & MOs

Info

ID:	153893
PubChem CID:	56313228
Reduced:	F2O2N3H25C26 (1)
Stoich.:	A2B2C3D25E26 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	2.27
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CC4=CC=C(C=C4)F

DOS

IR

Vibrations