Geometry & MOs

Info

ID:	268914
PubChem CID:	103602152
Reduced:	NO3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	321.053463
ΔH_f, kcal/mol:	-144.88
Dipole, Da:	2.33
IP(EA), eV:	-10.21(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)C1=CC=C(O1)[N+](=O)[O-]

DOS

IR

Vibrations