Geometry & MOs

Info

ID:	257069
PubChem CID:	103143537
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	94.1
Dipole, Da:	3.38
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-propoxyethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=NC=CC=N3

DOS

IR

Vibrations