Geometry & MOs

Info

ID:	168476
PubChem CID:	74974628
Reduced:	O2C25H30 (1)
Stoich.:	A2B25C30 (1)
Weight, g/mol:	378.219495
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	3.8
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 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)C)(C)C

DOS

IR

Vibrations