Geometry & MOs

Info

ID:	40436
PubChem CID:	8144124
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	371.080347
ΔH_f, kcal/mol:	-76.6
Dipole, Da:	4.32
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[(Z)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C/C(=N/NC(=O)C2=CC=C(C=C2)O)/C

DOS

IR

Vibrations