Geometry & MOs

Info

ID:	45688
PubChem CID:	10516541
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	28.45
Dipole, Da:	3.33
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCN(C)C)N1N=C2C=CC=CC2=N1

DOS

IR

Vibrations