Geometry & MOs

Info

ID:	397331
PubChem CID:	135030060
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	309.092042
ΔH_f, kcal/mol:	19.32
Dipole, Da:	3.92
IP(EA), eV:	-8.7(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-butyl-2-chloroisoindolo[2,3-a]indol-6-one

Drug info:

PubChemData

Smile

CCCCC1=C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C41

DOS

IR

Vibrations