Geometry & MOs

Info

ID:	68602
PubChem CID:	46508741
Reduced:	NF3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	453.160994
ΔH_f, kcal/mol:	-241.55
Dipole, Da:	4.52
IP(EA), eV:	-8.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC=C1)C(F)(F)F)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations