Geometry & MOs

Info

ID:	209582
PubChem CID:	80690304
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	284.08881
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	6.65
IP(EA), eV:	-9.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)pentan-3-amine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CCC2=CC=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations