Geometry & MOs

Info

ID:	311715
PubChem CID:	126597085
Reduced:	SN3H31C43 (1)
Stoich.:	AB3C31D43 (1)
Weight, g/mol:	343.158372
ΔH_f, kcal/mol:	201.93
Dipole, Da:	6.83
IP(EA), eV:	-7.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl)-4-methoxyphenyl]acetate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N(C3=CC=CC=C23)C4=C(C=C(CC4)C#N)C5=CC6=C(C=C5)C7=C(N6C8=CC=CC=C8)CCC9=C7SC1=CC=CC=C91

DOS

IR

Vibrations