Geometry & MOs

Info

ID:	271273
PubChem CID:	103652879
Reduced:	ClN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-55.78
Dipole, Da:	5.74
IP(EA), eV:	-10.09(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)-N-[2-(cyclopropylmethoxy)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC1COCCNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations