Geometry & MOs

Info

ID:	405781
PubChem CID:	135075440
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	199.063329
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	2.35
IP(EA), eV:	-9.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)Br)C=C(O2)[C@@H](CO)O

DOS

IR

Vibrations