Geometry & MOs

Info

ID:	314920
PubChem CID:	126623968
Reduced:	BrN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	369.00103
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	4.13
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(6-bromopyridin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(=O)CC1=NN(C2=C1C=C(C=C2)Br)CC(=O)O

DOS

IR

Vibrations