Geometry & MOs

Info

ID:	427008
PubChem CID:	135155004
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	796.153483
ΔH_f, kcal/mol:	61.27
Dipole, Da:	6.73
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)[N+](=O)[O-])C2=CN=C(N=C2)CCN

DOS

IR

Vibrations