Geometry & MOs

Info

ID:	131909
PubChem CID:	51277772
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	7.91
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methylpropoxy)propyl]-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations