Geometry & MOs

Info

ID:	338630
PubChem CID:	127259641
Reduced:	NOH10C14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	354.136828
ΔH_f, kcal/mol:	60.76
Dipole, Da:	3.22
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations