Geometry & MOs

Info

ID:	256716
PubChem CID:	103140910
Reduced:	BrNC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	291.06226
ΔH_f, kcal/mol:	27.13
Dipole, Da:	4.2
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromohexyl)isoquinoline

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC2=C1C=NC=C2)Br

DOS

IR

Vibrations