Geometry & MOs

Info

ID:	404485
PubChem CID:	135066543
Reduced:	O8C27H40 (1)
Stoich.:	A8B27C40 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-339.46
Dipole, Da:	9.83
IP(EA), eV:	-9.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-phenylfuran-2-yl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5C(C(C(C(O5)C)OC)O)O

DOS

IR

Vibrations