Geometry & MOs

Info

ID:	160289
PubChem CID:	57309636
Reduced:	BFON2C28H29 (1)
Stoich.:	ABCD2E28F29 (1)
Weight, g/mol:	322.138953
ΔH_f, kcal/mol:	38.28
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752557
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamide

Drug info:

PubChemData

Smile

[B](CCCC(C1=CC=CC=C1)C2=CC=CC=C2OCC)C3=NC=CN3C4=C(C=C(C=C4)F)C

DOS

IR

Vibrations