Geometry & MOs

Info

ID:	220926
PubChem CID:	85240530
Reduced:	O4N5C12H18 (1)
Stoich.:	A4B5C12D18 (1)
Weight, g/mol:	295.106925
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	6.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826836
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-azidophenyl)ethyl]-1-(4-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)CCCCC(=O)O)N

DOS

IR

Vibrations