Geometry & MOs

Info

ID:	393246
PubChem CID:	135019877
Reduced:	ION2C28H29 (1)
Stoich.:	ABC2D28E29 (1)
Weight, g/mol:	492.06986
ΔH_f, kcal/mol:	67.16
Dipole, Da:	3.87
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1/C(=C(/C2=CC=CC=C2)\I)/OC(=NCC3=CC=CC=C3)N1CCC4=CC=CC=C4

DOS

IR

Vibrations