Geometry & MOs

Info

ID:	151839
PubChem CID:	56310656
Reduced:	NF2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-203.94
Dipole, Da:	7.35
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(C3=CC=C(C=C3)OC(F)F)O

DOS

IR

Vibrations