Geometry & MOs

Info

ID:	438598
PubChem CID:	135228342
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	397.089472
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	6.06
IP(EA), eV:	-9.03(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]azocan-4-amine

Drug info:

PubChemData

Smile

C1CCCCC(CCC1)C=CN2C=CC(=NC2=O)N

DOS

IR

Vibrations