Geometry & MOs

Info

ID:	147355
PubChem CID:	53787011
Reduced:	BrNC11H24 (2)
Stoich.:	ABC11D24 (2)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	9.93
IP(EA), eV:	-7.67(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-nitrophenyl)-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

CCCCCCCC[N+](C)(C)CC([N+](C)(C)CCCCCCCC)(Br)Br

DOS

IR

Vibrations