Geometry & MOs

Info

ID:	144709
PubChem CID:	53401098
Reduced:	N3O3C10H11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	476.246378
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	3.49
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C=N2)N)OC

DOS

IR

Vibrations