Geometry & MOs

Info

ID:	305928
PubChem CID:	124974876
Reduced:	ClFON3C22H25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	4.44
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2R)-4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1[C@H](CC2(C1=O)CCN(CC2)CC3=NC=C(C=C3)Cl)CC4=CC(=CC=C4)F

DOS

IR

Vibrations