Geometry & MOs

Info

ID:	403032
PubChem CID:	135058425
Reduced:	NOH21C22 (1)
Stoich.:	ABC21D22 (1)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	48.53
Dipole, Da:	2.23
IP(EA), eV:	-8.75(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-[(E)-prop-1-enyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC=CC=N2)C[C@@H]3C[C@@H]3C4=CC=CC=C4

DOS

IR

Vibrations