Geometry & MOs

Info

ID:	393248
PubChem CID:	135019881
Reduced:	IN2O3H25C27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	492.06986
ΔH_f, kcal/mol:	17.79
Dipole, Da:	2.67
IP(EA), eV:	-8.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C3/C(=C(/C4=CC=CC=C4)\I)/OC(=NCC5=CC=CC=C5)N3CCC2=C1)OC

DOS

IR

Vibrations