Geometry & MOs

Info

ID:	338428
PubChem CID:	127259120
Reduced:	ClNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	3.76
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloroanilino)-2-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations