Geometry & MOs

Info

ID:	413101
PubChem CID:	135086045
Reduced:	O3N4H6C9 (1)
Stoich.:	A3B4C6D9 (1)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	81.25
Dipole, Da:	4.95
IP(EA), eV:	-10.23(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pyridin-3-ylprop-2-enoxycarbonylamino) benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations