Geometry & MOs

Info

ID:	393232
PubChem CID:	135019786
Reduced:	O2H9C10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.800443
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-acetyl-6-bromo-2H-benzo[cd]indol-2-yl)acetate

Drug info:

PubChemData

Smile

[CH+]=CC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations