Geometry & MOs

Info

ID:	241068
PubChem CID:	93621532
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	4.5
IP(EA), eV:	-8.99(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations