Geometry & MOs

Info

ID:	305957
PubChem CID:	124976007
Reduced:	FN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	5.89
IP(EA), eV:	-9.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCOC[C@@H]2C3=CC=NN3)F

DOS

IR

Vibrations