Geometry & MOs

Info

ID:	35430
PubChem CID:	7979849
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	325.082934
ΔH_f, kcal/mol:	-191.11
Dipole, Da:	3.2
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations