Geometry & MOs

Info

ID:	257107
PubChem CID:	103143826
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	4.39
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-isoquinolin-8-yl-2-methoxybutan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(C(C1=CC=CC2=C1C=NC=C2)NCC)OC

DOS

IR

Vibrations