Geometry & MOs

Info

ID:	180923
PubChem CID:	76705045
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-6-oxabicyclo[3.2.1]octan-7-one

Drug info:

PubChemData

Smile

CC(=CC1=C(C=CC=C1C2=CC(=CC=C2)O)C3=CC(=CC=C3)O)C(=O)N=C(N)N

DOS

IR

Vibrations