Geometry & MOs

Info

ID:	334180
PubChem CID:	127252732
Reduced:	N2O6H22C29 (1)
Stoich.:	A2B6C22D29 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	5.95
IP(EA), eV:	-8.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)N4C5=C3C=CN=C5C6=C(C4=O)C(=C(C=C6)OC)OC

DOS

IR

Vibrations