Geometry & MOs

Info

ID:	440089
PubChem CID:	135229989
Reduced:	FNSO2C9H9 (2)
Stoich.:	ABCD2E9F9 (2)
Weight, g/mol:	234.184447
ΔH_f, kcal/mol:	-178.01
Dipole, Da:	4.43
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-6,7,8,9-tetrahydro-5H-pyrazino[2,3-b][1,4]diazepine

Drug info:

PubChemData

Smile

C=CNC(=O)COC1=C(C=C(C=C1F)SCCNS(=O)(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations