Geometry & MOs

Info

ID:	198934
PubChem CID:	79174578
Reduced:	N4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	281.025499
ΔH_f, kcal/mol:	80.36
Dipole, Da:	2.25
IP(EA), eV:	-9.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(4-fluorophenoxy)methyl]-1-nitrobenzene

Drug info:

PubChemData

Smile

CCC1=NC(=C(C(=N1)N)C#N)C2=CC=CC=C2

DOS

IR

Vibrations