Geometry & MOs

Info

ID:	402443
PubChem CID:	135055978
Reduced:	NO5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	537.223515
ΔH_f, kcal/mol:	-55.99
Dipole, Da:	5.02
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=C([C@@H]2C[N+](=O)[O-])C=O)C3=CC=CC=C3

DOS

IR

Vibrations