Geometry & MOs

Info

ID:	29382
PubChem CID:	833455
Reduced:	N2O6H10C17 (1)
Stoich.:	A2B6C10D17 (1)
Weight, g/mol:	334.02046
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	3.58
IP(EA), eV:	-9.37(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-ethylphenyl) 4-methoxybenzoate

Drug info:

PubChemData

Smile

C=CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations