Geometry & MOs

Info

ID:	339134
PubChem CID:	127260513
Reduced:	ClO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	318.065887
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	1.58
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-4-chloro-3-methoxy-6-methylphenyl) benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)OC)C(=O)C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations