Geometry & MOs

Info

ID:	280720
PubChem CID:	103850939
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	286.0965
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	2.47
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CN1N=C(N=N1)C2=CC=CO2

DOS

IR

Vibrations