Geometry & MOs

Info

ID:	404503
PubChem CID:	135066563
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-54.28
Dipole, Da:	4.94
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-7-acetyl-5-phenyl-7-propyl-3,6-dihydro-2H-oxocin-8-one

Drug info:

PubChemData

Smile

C/1COC(=O)C(C/C(=C1)/C2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations