Geometry & MOs

Info

ID:	159973
PubChem CID:	57304239
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	295.080435
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	3.19
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-ylidene)amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC2=C1C=C(C=C2)OC3(OCCO3)C

DOS

IR

Vibrations