Geometry & MOs

Info

ID:	272645
PubChem CID:	103750685
Reduced:	BrFO2N3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	2.84
IP(EA), eV:	-9.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-methylpentan-3-yl)-2-(3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NCC(=O)NC(=O)N)Br

DOS

IR

Vibrations