Geometry & MOs

Info

ID:	299030
PubChem CID:	117668298
Reduced:	SO2F3N7H24C25 (1)
Stoich.:	AB2C3D7E24F25 (1)
Weight, g/mol:	261.164126
ΔH_f, kcal/mol:	-132.03
Dipole, Da:	6.32
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-fluoro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-1-yl)-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@](CCC1C(=O)N)(C2=NC=C(S2)C3=CC(=CC(=C3)C4=CNN=C4)NC5=NC=CC(=N5)C(F)(F)F)O

DOS

IR

Vibrations