Geometry & MOs

Info

ID:	59330
PubChem CID:	24786835
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	11.67
IP(EA), eV:	-8.73(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R)-3-(6-aminopurin-9-yl)-6-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol

Drug info:

PubChemData

Smile

C1[C@H](N(C2=C3C1=CN=C3C(=O)C(=C2)NCCCO)CCCN)C(=O)O

DOS

IR

Vibrations