Geometry & MOs

Info

ID:	423518
PubChem CID:	135119660
Reduced:	NF2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-190.19
Dipole, Da:	5.66
IP(EA), eV:	-8.93(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC=C(C=C3)OC(F)F)O

DOS

IR

Vibrations