Geometry & MOs

Info

ID:	255585
PubChem CID:	103133153
Reduced:	ON3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-9.42
Dipole, Da:	5.41
IP(EA), eV:	-9.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-isoquinolin-8-ylpentan-1-one

Drug info:

PubChemData

Smile

CC(CCC(=O)C1=NN(C=C1)C)N

DOS

IR

Vibrations