Geometry & MOs

Info

ID:	132498
PubChem CID:	51371001
Reduced:	BrN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	8.07
IP(EA), eV:	-8.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-2-[2-hex-1-ynyl-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCCBr

DOS

IR

Vibrations