Geometry & MOs

Info

ID:	28924
PubChem CID:	830694
Reduced:	BrNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	322.01635
ΔH_f, kcal/mol:	23.79
Dipole, Da:	2.4
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)-2-oxoethyl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations