Geometry & MOs

Info

ID:	210314
PubChem CID:	80787750
Reduced:	ClON5C8H12 (1)
Stoich.:	ABC5D8E12 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	3.41
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-(3-fluorophenyl)ethyl]-2-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)NCCC(=O)N)Cl

DOS

IR

Vibrations