Geometry & MOs

Info

ID:	387361
PubChem CID:	134985075
Reduced:	O2N3C5H7 (2)
Stoich.:	A2B3C5D7 (2)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	44.33
Dipole, Da:	6.88
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxido-phenylmethoxy-propyliminoazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN=C(NCCN[N+](=O)[O-])N[N+](=O)[O-]

DOS

IR

Vibrations