Geometry & MOs

Info

ID:	198064
PubChem CID:	79040351
Reduced:	ClFOH5N5C10 (1)
Stoich.:	ABCD5E5F10 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	61.94
Dipole, Da:	2.83
IP(EA), eV:	-10.18(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-nitrophenyl)methylamino]pentanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Cl)C2=NC(=NO2)C3=NC=NN3

DOS

IR

Vibrations