Geometry & MOs

Info

ID:	231546
PubChem CID:	87574084
Reduced:	ClON6C29H29 (1)
Stoich.:	ABC6D29E29 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	61.46
Dipole, Da:	6.02
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)C2=CC=C(C=C2)CNC3=NC(=NC(=N3)Cl)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations