Geometry & MOs

Info

ID:	364561
PubChem CID:	127315813
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	5.83
IP(EA), eV:	-8.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-N-(oxan-2-ylmethyl)-N-propylpurin-6-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCOCC4)N5CCCC5CO

DOS

IR

Vibrations