Geometry & MOs

Info

ID:	305829
PubChem CID:	124971046
Reduced:	ON6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	366.162666
ΔH_f, kcal/mol:	42.19
Dipole, Da:	7.23
IP(EA), eV:	-9.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-3-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CNCC(=O)N1CCC[C@@H]1C2=NC=CN=C2N3C=CN=C3

DOS

IR

Vibrations