Geometry & MOs

Info

ID:	52434
PubChem CID:	12015297
Reduced:	NPO4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	516.183778
ΔH_f, kcal/mol:	-175.11
Dipole, Da:	0.6
IP(EA), eV:	-8.89(-0.82)
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]phenyl]ethenyl]phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CP(=O)(OC)OC

DOS

IR

Vibrations