Geometry & MOs

Info

ID:	279407
PubChem CID:	103843812
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	9.38
IP(EA), eV:	-10.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CN1C=C(C=N1)[N+](=O)[O-])CO

DOS

IR

Vibrations