Geometry & MOs

Info

ID:	263267
PubChem CID:	103350767
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	36.86
Dipole, Da:	4.79
IP(EA), eV:	-9.66(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-bromo-5-nitrophenyl)methylamino]butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNCC2=CC(=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations