Geometry & MOs

Info

ID:	209446
PubChem CID:	80673466
Reduced:	BrSO2N3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	332.08881
ΔH_f, kcal/mol:	-75.75
Dipole, Da:	4.71
IP(EA), eV:	-9.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-(quinolin-8-ylmethyl)cyclopentanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)Br

DOS

IR

Vibrations