Geometry & MOs

Info

ID:	256724
PubChem CID:	103140935
Reduced:	OSN2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	263.03096
ΔH_f, kcal/mol:	40.3
Dipole, Da:	4.58
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromo-2-methylpropyl)isoquinoline

Drug info:

PubChemData

Smile

C1=COC(=C1)CSC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations