Geometry & MOs

Info

ID:	29604
PubChem CID:	835744
Reduced:	NO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	341.105193
ΔH_f, kcal/mol:	6.78
Dipole, Da:	4.42
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzoxazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations