Geometry & MOs

Info

ID:	339087
PubChem CID:	127260344
Reduced:	BrO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	334.97932
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-nitrophenyl)methyl benzoate

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1COC(=O)C2=CC=CC=C2)Br)OC)OC

DOS

IR

Vibrations