Geometry & MOs

Info

ID:	241056
PubChem CID:	93621453
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	2.71
IP(EA), eV:	-9.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CC=N2)NC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations