Geometry & MOs

Info

ID:	405718
PubChem CID:	135075155
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	-100.92
Dipole, Da:	2.8
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-8-(2-benzoylcyclopropyl)-2,2,4-trimethyloct-4-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\OC)/C1=CC(=CC=C1)OC

DOS

IR

Vibrations