Geometry & MOs

Info

ID:	287419
PubChem CID:	104241656
Reduced:	BrClN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	357.06074
ΔH_f, kcal/mol:	22.93
Dipole, Da:	3.71
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)azepane

Drug info:

PubChemData

Smile

CN(C)C1=NC(=C(C(=N1)Cl)Br)C2CCCC2

DOS

IR

Vibrations