Geometry & MOs

Info

ID:	167365
PubChem CID:	74815803
Reduced:	N5O5C13H19 (1)
Stoich.:	A5B5C13D19 (1)
Weight, g/mol:	236.156301
ΔH_f, kcal/mol:	-214.86
Dipole, Da:	2.12
IP(EA), eV:	-9.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)-3-fluoroaniline

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)C(=O)NC2CNC(=O)NC2=O

DOS

IR

Vibrations