Geometry & MOs

Info

ID:	144134
PubChem CID:	53318905
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	12.09
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-piperazin-1-yl-2-propylisoquinolin-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CC=N2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

DOS

IR

Vibrations