Geometry & MOs

Info

ID:	284026
PubChem CID:	104027532
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	340.04226
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	7.27
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C2=C(C(=CC=C2)N)Br

DOS

IR

Vibrations