Geometry & MOs

Info

ID:	242883
PubChem CID:	99213591
Reduced:	BrClO2N3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	468.0007
ΔH_f, kcal/mol:	11.82
Dipole, Da:	3.59
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1=C(C=C(C=C1)Br)Cl)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations