Geometry & MOs

Info

ID:	204129
PubChem CID:	79917540
Reduced:	BrFN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	1.28
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(CN)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations