Geometry & MOs

Info

ID:	263674
PubChem CID:	103388476
Reduced:	N3O5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	271.13322
ΔH_f, kcal/mol:	-146.82
Dipole, Da:	5.51
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-fluoro-3-nitrophenyl)-5-methoxypentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CNC(=O)OC(C)(C)C)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations