Geometry & MOs

Info

ID:	20732
PubChem CID:	585424
Reduced:	N2O6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-134.29
Dipole, Da:	5.8
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-nitroso-3,4-dihydro-1H-isoquinolin-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(N(CC(C2=C1)O)N=O)CC3=CC4=C(C=C3)OCO4)OC

DOS

IR

Vibrations