Geometry & MOs

Info

ID:	204263
PubChem CID:	79938046
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	1.76
IP(EA), eV:	-8.85(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C#N)C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations