Geometry & MOs

Info

ID:	373358
PubChem CID:	131314067
Reduced:	BrNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	246.935847
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	3.97
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,7-trichloro-1H-indole-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC(CC#N)C1=CC(=C(C=C1)O)Br

DOS

IR

Vibrations