Geometry & MOs

Info

ID:	256694
PubChem CID:	103140741
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	70.42
Dipole, Da:	5.49
IP(EA), eV:	-9.19(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethylpiperazin-1-yl)-5-nitroisoquinoline

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations