Geometry & MOs

Info

ID:	209448
PubChem CID:	80673468
Reduced:	BrN3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	283.06841
ΔH_f, kcal/mol:	20.02
Dipole, Da:	4.85
IP(EA), eV:	-9.13(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)cyclopentanamine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2CCC3)Br

DOS

IR

Vibrations