Geometry & MOs

Info

ID:	413102
PubChem CID:	135086046
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	4.62
IP(EA), eV:	-9.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenylprop-2-enoxycarbonylamino) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)ONC(=O)OCC=CC2=CN=CC=C2

DOS

IR

Vibrations