Geometry & MOs

Info

ID:	168990
PubChem CID:	75051704
Reduced:	ClNO4H6C10 (1)
Stoich.:	ABC4D6E10 (1)
Weight, g/mol:	640.314852
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	4.35
IP(EA), eV:	-10.11(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)OC2C=C(C=NC2=O)Cl

DOS

IR

Vibrations