Geometry & MOs

Info

ID:	136119
PubChem CID:	51982100
Reduced:	BrNO2H20C24 (1)
Stoich.:	ABC2D20E24 (1)
Weight, g/mol:	282.148548
ΔH_f, kcal/mol:	8.28
Dipole, Da:	1.56
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-6-(4-cyclopentylpiperazin-4-ium-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2[C@H](C(=C(C2=O)O)C3=CC=CC=C3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations