Geometry & MOs

Info

ID:	210784
PubChem CID:	80854886
Reduced:	ClON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	6.0
IP(EA), eV:	-8.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NCC2(CCCO2)C)Cl

DOS

IR

Vibrations