Geometry & MOs

Info

ID:	210628
PubChem CID:	80832064
Reduced:	BrON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-34.05
Dipole, Da:	3.04
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NC2(CCCC2)CO)Br

DOS

IR

Vibrations