Geometry & MOs

Info

ID:	412579
PubChem CID:	135085476
Reduced:	Cl2N2H6C11 (1)
Stoich.:	A2B2C6D11 (1)
Weight, g/mol:	250.99458
ΔH_f, kcal/mol:	46.18
Dipole, Da:	0.91
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoethyl)-1H-indole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)NC3=NC=CC(=C23)Cl

DOS

IR

Vibrations