Geometry & MOs

Info

ID:	405574
PubChem CID:	135074478
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	1.6
IP(EA), eV:	-8.82(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-(2-benzoylcyclopropyl)-2-methylhex-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\CO/C=C/COCC1=CC=CC=C1)/OCCC#C

DOS

IR

Vibrations