Geometry & MOs

Info

ID:	373046
PubChem CID:	131309059
Reduced:	BrON2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	261.97418
ΔH_f, kcal/mol:	79.29
Dipole, Da:	6.56
IP(EA), eV:	-9.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-methylindole-4-carbonyl cyanide

Drug info:

PubChemData

Smile

CC1=C(ON=C1C#N)C2=CC=CC=C2Br

DOS

IR

Vibrations