Geometry & MOs

Info

ID:	193676
PubChem CID:	78422755
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	342.206919
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	3.26
IP(EA), eV:	-9.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CC2=NCC3C4=CC=CC=C4CCN3C2=O

DOS

IR

Vibrations