Geometry & MOs

Info

ID:	255615
PubChem CID:	103133418
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	37.93
Dipole, Da:	7.38
IP(EA), eV:	-9.27(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-isoquinolin-8-ylpentan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)C2=CC=CC3=C2C=NC=C3)CN

DOS

IR

Vibrations