Geometry & MOs

Info

ID:	204246
PubChem CID:	79935548
Reduced:	BrN2O2S2C12H19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	278.179442
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	5.22
IP(EA), eV:	-8.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations