Geometry & MOs

Info

ID:	288412
PubChem CID:	104316410
Reduced:	BrSN3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	60.54
Dipole, Da:	1.32
IP(EA), eV:	-8.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=C(C=CC=N2)Br)N

DOS

IR

Vibrations