Geometry & MOs

Info

ID:	80988
PubChem CID:	49854224
Reduced:	F3O3N4C18H19 (1)
Stoich.:	A3B3C4D18E19 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-233.58
Dipole, Da:	5.86
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1CC(=O)NC2=CC(=C(C=C2)F)C(F)F)N3CCOCC3

DOS

IR

Vibrations