Geometry & MOs

Info

ID:	393902
PubChem CID:	135021929
Reduced:	O13C40H74 (1)
Stoich.:	A13B40C74 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	-705.65
Dipole, Da:	4.42
IP(EA), eV:	-10.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OCC1[C@H](C(C([C@H](O1)O[C@@H]2C(C([C@@H](C(O2)COC(=O)CCCCCCCCCCCCC)O)O)O)O)O)O

DOS

IR

Vibrations