Geometry & MOs

Info

ID:	24409
PubChem CID:	609987
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	4.42
IP(EA), eV:	-8.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CCNC(C2=C1)C3=CC=CC=C3O)OC

DOS

IR

Vibrations