Geometry & MOs

Info

ID:	6806
PubChem CID:	70137
Reduced:	BrNOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	222.96328
ΔH_f, kcal/mol:	12.87
Dipole, Da:	4.55
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=CN2)C=O

DOS

IR

Vibrations