Geometry & MOs

Info

ID:	35478
PubChem CID:	7979928
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	345.051634
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	3.26
IP(EA), eV:	-9.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=N3

DOS

IR

Vibrations