Geometry & MOs

Info

ID:	256788
PubChem CID:	103141382
Reduced:	SN5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	132.5
Dipole, Da:	3.31
IP(EA), eV:	-9.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylethyl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CN=NS3)NN

DOS

IR

Vibrations