Geometry & MOs

Info

ID:	416948
PubChem CID:	135090893
Reduced:	FN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-181.52
Dipole, Da:	3.03
IP(EA), eV:	-9.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=O)CCC12CCN(CC2)C3=NOC(=C3C(=O)O)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations