Geometry & MOs

Info

ID:	145312
PubChem CID:	53496786
Reduced:	BrNSiC22H24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	35.18
Dipole, Da:	2.31
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzoxazol-2-yl)-3-methylphenyl] acetate

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.Br

DOS

IR

Vibrations