Geometry & MOs

Info

ID:	256295
PubChem CID:	103138279
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	2.54
IP(EA), eV:	-8.93(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4-dimethylpiperazin-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=CC(=C2)C)CNC3CC3

DOS

IR

Vibrations