Geometry & MOs

Info

ID:	378530
PubChem CID:	134224618
Reduced:	N2O5C38H42 (1)
Stoich.:	A2B5C38D42 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	2.64
IP(EA), eV:	-8.76(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NOC(C2)C[C@@H]3[C@@H]([C@H]([C@@H](N3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations