Geometry & MOs

Info

ID:	20010
PubChem CID:	576794
Reduced:	O4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	360.136159
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	4.49
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C)OC(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations