Geometry & MOs

Info

ID:	257101
PubChem CID:	103143785
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	9.48
Dipole, Da:	4.58
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(C1=CC=CC2=C1C=NC=C2)C3(CCC3)OC

DOS

IR

Vibrations