Geometry & MOs

Info

ID:	377937
PubChem CID:	134224004
Reduced:	O2N3H29C42 (1)
Stoich.:	A2B3C29D42 (1)
Weight, g/mol:	379.02079
ΔH_f, kcal/mol:	145.73
Dipole, Da:	2.85
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-phenylmethoxyphenyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=NC(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=NC8=CC=CC=C8O7

DOS

IR

Vibrations