Geometry & MOs

Info

ID:	339133
PubChem CID:	127260512
Reduced:	BrO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	318.065887
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	5.32
IP(EA), eV:	-9.18(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-4-chloro-3-methoxy-5-methylphenyl) benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1OC)Br)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations