Geometry & MOs

Info

ID:	204128
PubChem CID:	79917082
Reduced:	ClSN2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	355.10594
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	3.48
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(4-bromo-2-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=NC2=C(C3=C(S2)C(OC3(C)C)(C)C)C(=O)N1)Cl

DOS

IR

Vibrations