Geometry & MOs

Info

ID:	287725
PubChem CID:	104252934
Reduced:	BrON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	339.09462
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	4.72
IP(EA), eV:	-9.07(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-cyclopentyl-2-(oxan-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC=C1Br)CC(C)OC

DOS

IR

Vibrations