Geometry & MOs

Info

ID:	210704
PubChem CID:	80843120
Reduced:	ClON4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	4.95
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CNC2=NC(=NC=C2Cl)N)O

DOS

IR

Vibrations