Geometry & MOs

Info

ID:	10859
PubChem CID:	108541
Reduced:	NO3H17C23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	355.120843
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	5.61
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations