Geometry & MOs

Info

ID:	256264
PubChem CID:	103138056
Reduced:	ClON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	-20.94
Dipole, Da:	6.28
IP(EA), eV:	-9.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-piperazin-1-ylisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)CCCl

DOS

IR

Vibrations