Geometry & MOs

Info

ID:	210632
PubChem CID:	80832192
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-37.01
Dipole, Da:	4.74
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)SC)NC2(CCCCC2)CO

DOS

IR

Vibrations