Geometry & MOs

Info

ID:	276796
PubChem CID:	103825242
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	3.78
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC=C(C=C1)OCC=C

DOS

IR

Vibrations