Geometry & MOs

Info

ID:	31135
PubChem CID:	854715
Reduced:	Cl2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	278.094294
ΔH_f, kcal/mol:	86.94
Dipole, Da:	4.63
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9,10-trimethyl-[1]benzofuro[6,5-c]isochromen-5-one

Drug info:

PubChemData

Smile

C1[C@@H](NC2=NC=NN2[C@H]1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations