Geometry & MOs

Info

ID:	168899
PubChem CID:	75039350
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	194.049843
ΔH_f, kcal/mol:	44.89
Dipole, Da:	3.29
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-6-phenyl-3-oxabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C1CC2CCC(=O)N3C(C2(C1)O)C(C4=CC=CC=C43)C#N

DOS

IR

Vibrations