Geometry & MOs

Info

ID:	126936
PubChem CID:	50984668
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	354.160437
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	4.77
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C[C@H]3CNC[C@]3(C2)C(=O)NCC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations