Geometry & MOs

Info

ID:	257113
PubChem CID:	103143861
Reduced:	ClNH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	196.100048
ΔH_f, kcal/mol:	82.59
Dipole, Da:	3.11
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-N-methylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C#CCCCl

DOS

IR

Vibrations