Geometry & MOs

Info

ID:	257102
PubChem CID:	103143795
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-15.9
Dipole, Da:	4.66
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine

Drug info:

PubChemData

Smile

CCCC(C(C1=CC=CC2=C1C=NC=C2)NC)OCC

DOS

IR

Vibrations