Geometry & MOs

Info

ID:	241059
PubChem CID:	93621482
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	3.56
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC=CC=N2)NC(=O)[C@@H]3CC4=CC=CC=C4OC3

DOS

IR

Vibrations