Geometry & MOs

Info

ID:	7693
PubChem CID:	73743
Reduced:	BrNH6C9 (1)
Stoich.:	ABC6D9 (1)
Weight, g/mol:	206.96836
ΔH_f, kcal/mol:	53.68
Dipole, Da:	2.92
IP(EA), eV:	-9.39(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromoisoquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2Br

DOS

IR

Vibrations