Geometry & MOs

Info

ID:	303536
PubChem CID:	124489873
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	4.73
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CCO)C(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations