Geometry & MOs

Info

ID:	336161
PubChem CID:	127255168
Reduced:	SO3N5C11H19 (1)
Stoich.:	AB3C5D11E19 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	3.46
IP(EA), eV:	-11.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1CCS(=O)(=O)C1)N2C=NN=N2

DOS

IR

Vibrations