Geometry & MOs

Info

ID:	333498
PubChem CID:	127252050
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	405.196489
ΔH_f, kcal/mol:	33.9
Dipole, Da:	5.28
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CN=C(N=C3)N)C(=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations