Geometry & MOs

Info

ID:	373010
PubChem CID:	131308570
Reduced:	BrN3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	49.42
Dipole, Da:	3.37
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(6-methoxypyridin-3-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

C=C[C@H](C1=CN=C(C=C1)Br)N2CCNCC2

DOS

IR

Vibrations