Geometry & MOs

Info

ID:	255977
PubChem CID:	103136022
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	22.46
Dipole, Da:	3.52
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(oxan-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC2=C1C=NC=C2)NCC

DOS

IR

Vibrations