Geometry & MOs

Info

ID:	256702
PubChem CID:	103140816
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	85.18
Dipole, Da:	3.43
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-N,2-dimethylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC3=C(S2)CCC3)NN

DOS

IR

Vibrations