Geometry & MOs

Info

ID:	190313
PubChem CID:	77984287
Reduced:	N4O7C32H34 (1)
Stoich.:	A4B7C32D34 (1)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-223.5
Dipole, Da:	5.74
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(7,7a-dihydro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.3.1]nonane-6,9-diol

Drug info:

PubChemData

Smile

CC(C(CO)OCN1CCC(=NC1=O)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O

DOS

IR

Vibrations