Geometry & MOs

Info

ID:	81552
PubChem CID:	49854856
Reduced:	F3N5C17H18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	376.134697
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	6.59
IP(EA), eV:	-9.21(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C(F)(F)F)CN1C3=CC=C(C=C3)C45CC4CNC5

DOS

IR

Vibrations