Geometry & MOs

Info

ID:	322028
PubChem CID:	126668327
Reduced:	O3H5C7 (2)
Stoich.:	A3B5C7 (2)
Weight, g/mol:	408.084517
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	1.81
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl) 4-(4-carboxyoxybenzoyl)oxy-2-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)O)OC(=O)O

DOS

IR

Vibrations