Geometry & MOs

Info

ID:	190997
PubChem CID:	78092678
Reduced:	NOC14H27 (2)
Stoich.:	ABC14D27 (2)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-208.03
Dipole, Da:	5.13
IP(EA), eV:	-9.46(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-8-(furan-3-yl)-2-hex-1-ynylpurin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)C1CCCC1C(=O)NCCCCCCCCC

DOS

IR

Vibrations