Geometry & MOs

Info

ID:	209434
PubChem CID:	80672550
Reduced:	BrSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	261.10921
ΔH_f, kcal/mol:	49.76
Dipole, Da:	5.42
IP(EA), eV:	-8.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-pentan-3-ylcyclopentanamine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2SC=C3)CBr

DOS

IR

Vibrations