Geometry & MOs

Info

ID:	373515
PubChem CID:	131316384
Reduced:	BrN3H6C10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	235.95853
ΔH_f, kcal/mol:	98.29
Dipole, Da:	5.72
IP(EA), eV:	-9.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-hydroxy-1H-indole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CN=C2C#N)Br

DOS

IR

Vibrations