Geometry & MOs

Info

ID:	241062
PubChem CID:	93621487
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	27.89
Dipole, Da:	4.84
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations