Geometry & MOs

Info

ID:	29893
PubChem CID:	838045
Reduced:	ClO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	6.15
IP(EA), eV:	-8.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) 2,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)OC2=CC=C(C=C2)Cl)OC)OC

DOS

IR

Vibrations