Geometry & MOs

Info

ID:	380395
PubChem CID:	134970835
Reduced:	ON3H6C7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	300.171202
ΔH_f, kcal/mol:	116.88
Dipole, Da:	2.93
IP(EA), eV:	-9.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NNN=C2C(C[N+](=O)[O-])C3=CN=CC=C3

DOS

IR

Vibrations