Geometry & MOs

Info

ID:	392707
PubChem CID:	135017708
Reduced:	OC12H12 (2)
Stoich.:	AB12C12 (2)
Weight, g/mol:	215.040485
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	2.78
IP(EA), eV:	-9.37(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiophen-3-ylmethyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

C[C@@]1(C[C@](C2=CC=CC=C21)(C3=CC=CC=C3)O)COCC4=CC=CC=C4

DOS

IR

Vibrations