Geometry & MOs

Info

ID:	14702
PubChem CID:	418317
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	3.63
IP(EA), eV:	-7.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1H-isoquinoline-6,7-diol

Drug info:

PubChemData

Smile

CN1C=CC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)O

DOS

IR

Vibrations