Geometry & MOs

Info

ID:	151207
PubChem CID:	53790907
Reduced:	ClF2N2O2H9C14 (1)
Stoich.:	AB2C2D2E9F14 (1)
Weight, g/mol:	393.06872
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	2.93
IP(EA), eV:	-9.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dichlorophenyl)ethenyl]-6-phenoxy-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CC3=C(C=C2)OC(O3)(F)F)N=N)Cl

DOS

IR

Vibrations