Geometry & MOs

Info

ID:	256322
PubChem CID:	103138461
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	3.89
IP(EA), eV:	-7.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-aminoisoquinolin-8-yl)-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations