Geometry & MOs

Info

ID:	20016
PubChem CID:	576893
Reduced:	OH7C8 (4)
Stoich.:	AB7C8 (4)
Weight, g/mol:	476.198759
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	1.33
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylbenzoyl)oxy-1,2-bis(2-methylphenyl)ethenyl] 2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C(C2=CC=CC=C2C)OC(=O)C3=CC=CC=C3C)OC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations