Geometry & MOs

Info

ID:	397330
PubChem CID:	135030059
Reduced:	BrNO2S2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	275.131014
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	3.94
IP(EA), eV:	-9.47(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-butylisoindolo[2,3-a]indol-6-one

Drug info:

PubChemData

Smile

CSC(C(=O)O)SC1=CC2=CC(=CN=C2C=C1)Br

DOS

IR

Vibrations