Geometry & MOs

Info

ID:	37323
PubChem CID:	8019643
Reduced:	ClON2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	315.042899
ΔH_f, kcal/mol:	34.58
Dipole, Da:	5.34
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations