Geometry & MOs

Info

ID:	207640
PubChem CID:	80431883
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	3.96
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridin-4-ylethyl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC2=C1CNCC2

DOS

IR

Vibrations