Geometry & MOs

Info

ID:	393247
PubChem CID:	135019880
Reduced:	ION2H21C25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	552.09099
ΔH_f, kcal/mol:	94.64
Dipole, Da:	3.64
IP(EA), eV:	-9.06(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-N-benzyl-1-[iodo(phenyl)methylidene]-8,9-dimethoxy-6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinolin-3-imine

Drug info:

PubChemData

Smile

C1CN2C(C3=CC=CC=C31)/C(=C(/C4=CC=CC=C4)\I)/OC2=NCC5=CC=CC=C5

DOS

IR

Vibrations