Geometry & MOs

Info

ID:	339088
PubChem CID:	127260345
Reduced:	BrNO4H10C14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	284.117922
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	3.22
IP(EA), eV:	-10.25(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butoxy-4-chlorobutyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations