Geometry & MOs

Info

ID:	60765
PubChem CID:	26701975
Reduced:	F2N2O6H20C23 (1)
Stoich.:	A2B2C6D20E23 (1)
Weight, g/mol:	341.101171
ΔH_f, kcal/mol:	-204.93
Dipole, Da:	6.31
IP(EA), eV:	-8.78(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC(F)F)C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations