Geometry & MOs

Info

ID:	357322
PubChem CID:	127293955
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	316.237545
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	5.55
IP(EA), eV:	-8.76(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)cycloheptyl]methyl]-9-ethylpurin-6-amine

Drug info:

PubChemData

Smile

CN(C)C1(CCCCCC1)CNC2=CC(=NC=N2)N3CCCC3CO

DOS

IR

Vibrations