Geometry & MOs

Info

ID:	175124
PubChem CID:	75859063
Reduced:	N2S2O3C21H32 (1)
Stoich.:	A2B2C3D21E32 (1)
Weight, g/mol:	425.207647
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	8.58
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations