Geometry & MOs

Info

ID:	54009
PubChem CID:	14719466
Reduced:	O3N5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	11.99
IP(EA), eV:	-9.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(6-aminopurin-9-yl)-4-cyclohexylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(OC(C1)N2C=NC3=C2NC=NC3=O)CO

DOS

IR

Vibrations