Geometry & MOs

Info

ID:	168477
PubChem CID:	74974629
Reduced:	O3C25H30 (1)
Stoich.:	A3B25C30 (1)
Weight, g/mol:	392.235145
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	4.65
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-6-phenyl-4-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CCCC(C1C=CC2=CC(=O)C(C(C2)C3=CC=CC=C3)C(=O)OC)(C)C

DOS

IR

Vibrations