Geometry & MOs

Info

ID:	25149
PubChem CID:	619569
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	293.037419
ΔH_f, kcal/mol:	0.67
Dipole, Da:	3.54
IP(EA), eV:	-9.17(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-6,8-dichlorobenzo[cd]indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)C(N(C1=N)C(C)(C)C)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations