Geometry & MOs

Info

ID:	52435
PubChem CID:	12015298
Reduced:	NOH12C18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	576.204907
ΔH_f, kcal/mol:	128.19
Dipole, Da:	2.25
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2OC(=NC2=C1)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6

DOS

IR

Vibrations