Geometry & MOs

Info

ID:	23813
PubChem CID:	606151
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	4.38
IP(EA), eV:	-8.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OC

DOS

IR

Vibrations