Geometry & MOs

Info

ID:	421272
PubChem CID:	135115676
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	5.49
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyridin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations