Geometry & MOs

Info

ID:	414154
PubChem CID:	135087109
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	250.95819
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	4.1
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-1H-indol-3-yl)-2-oxoacetaldehyde

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=C(C=CC=N2)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations