Geometry & MOs

Info

ID:	406621
PubChem CID:	135078176
Reduced:	O5C32H34 (1)
Stoich.:	A5B32C34 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-147.28
Dipole, Da:	2.65
IP(EA), eV:	-9.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxolan-2-ylidene)-1-(4-nitrophenyl)pentan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1C=C([C@@H]2[C@H]1OC(O2)(C)C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations