Geometry & MOs

Info

ID:	257111
PubChem CID:	103143854
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	197.084064
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	3.58
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-8-ylbut-3-yn-1-ol

Drug info:

PubChemData

Smile

CCNC(CCOCCOC)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations