Geometry & MOs

Info

ID:	303535
PubChem CID:	124489872
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-118.14
Dipole, Da:	3.69
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-bromophenyl)-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)N)C(=O)O

DOS

IR

Vibrations