Geometry & MOs

Info

ID:	188591
PubChem CID:	77739297
Reduced:	FON3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	633.184625
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	4.33
IP(EA), eV:	-8.85(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoic acid;5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)F)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations