Geometry & MOs

Info

ID:	256338
PubChem CID:	103138577
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	2.44
IP(EA), eV:	-8.85(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-aminoisoquinolin-8-yl)-3-methylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

CCCNCC(CC)(CC1CCC(O1)C)C2=CC=CC=C2

DOS

IR

Vibrations