Geometry & MOs

Info

ID:	284025
PubChem CID:	104027300
Reduced:	BrOCl2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-22.14
Dipole, Da:	3.06
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-amino-2-bromobenzoyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)N)Br)Cl

DOS

IR

Vibrations