Geometry & MOs

Info

ID:	306364
PubChem CID:	125003930
Reduced:	O2F3N6C19H19 (1)
Stoich.:	A2B3C6D19E19 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	7.42
IP(EA), eV:	-9.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CN(C[C@@]1(CCN(C1)C2=NC=CC=N2)O)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)(F)F

DOS

IR

Vibrations