Geometry & MOs

Info

ID:	373852
PubChem CID:	131320660
Reduced:	BFN2O3C16H24 (1)
Stoich.:	ABC2D3E16F24 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-242.95
Dipole, Da:	3.64
IP(EA), eV:	-8.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(1,2-benzoxazol-4-yl)acetate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N3CCCC(C3)O)F

DOS

IR

Vibrations