Geometry & MOs

Info

ID:	81265
PubChem CID:	49854525
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-62.43
Dipole, Da:	2.46
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)N1CC2CC2(C1)C3=CC=C(C=C3)N4C[C@@H](OC4=O)CN5C=CN=N5

DOS

IR

Vibrations