Geometry & MOs

Info

ID:	339135
PubChem CID:	127260514
Reduced:	ClO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	2.8
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC(=O)C2=CC=CC=C2)C(=O)C)OC)Cl

DOS

IR

Vibrations