Geometry & MOs

Info

ID:	204258
PubChem CID:	79936462
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	266.124212
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	0.9
IP(EA), eV:	-9.44(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4,4-trifluorobutanoic acid

Drug info:

PubChemData

Smile

CCCN1CC(=O)N(CC1=O)CC(CN)OCC

DOS

IR

Vibrations