Geometry & MOs

Info

ID:	404502
PubChem CID:	135066562
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	306.125594
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	3.48
IP(EA), eV:	-8.78(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-7-benzoyl-5-phenyl-2,3,6,7-tetrahydrooxocin-8-one

Drug info:

PubChemData

Smile

CC1=CCC2=C(C=C(C=C2OC)OC)N(C1)C(=O)OC

DOS

IR

Vibrations