Geometry & MOs

Info

ID:	186140
PubChem CID:	77396020
Reduced:	ClN7H16C17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	161.068808
ΔH_f, kcal/mol:	121.35
Dipole, Da:	1.77
IP(EA), eV:	-8.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6a-amino-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol

Drug info:

PubChemData

Smile

CN(C1CCN(C1)C2=NC=NC3=C2C=CN3)C4=C(C=C(C=N4)C#N)Cl

DOS

IR

Vibrations