Geometry & MOs

Info

ID:	60750
PubChem CID:	26701067
Reduced:	ClN3O4H12C17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	486.11542
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	7.34
IP(EA), eV:	-8.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)NC3=CC4=C(C=C3)NC(=O)N4)Cl

DOS

IR

Vibrations