Geometry & MOs

Info

ID:	65274
PubChem CID:	29211880
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	376.238888
ΔH_f, kcal/mol:	16.71
Dipole, Da:	6.99
IP(EA), eV:	-8.58(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-4-(isoquinolin-5-ylmethyl)-1-(2-phenylethyl)piperazin-1-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CSC1=NNC(=N1)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations