Geometry & MOs

Info

ID:	84966
PubChem CID:	49871010
Reduced:	N5O5C36H51 (1)
Stoich.:	A5B5C36D51 (1)
Weight, g/mol:	327.170668
ΔH_f, kcal/mol:	-215.75
Dipole, Da:	8.25
IP(EA), eV:	-9.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-(morpholin-4-ylmethyl)-4-(morpholin-4-ylmethylamino)pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)CC2=CC=CC=C2)C)CC3=CC=CC=C3

DOS

IR

Vibrations