Geometry & MOs

Info

ID:	210780
PubChem CID:	80854582
Reduced:	BrCl2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	275.210996
ΔH_f, kcal/mol:	42.55
Dipole, Da:	3.94
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)NC2=CC(=C(C=C2)Cl)Br)Cl

DOS

IR

Vibrations