Geometry & MOs

Info

ID:	203850
PubChem CID:	79881878
Reduced:	F2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	289.052112
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	5.76
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC2=C(C=C(C=C2F)C=CC(=O)O)F

DOS

IR

Vibrations