Geometry & MOs

Info

ID:	423637
PubChem CID:	135119884
Reduced:	NF2O5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-267.81
Dipole, Da:	6.54
IP(EA), eV:	-8.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=CC=CC=C4OC(F)F)OC

DOS

IR

Vibrations