Geometry & MOs

Info

ID:	341477
PubChem CID:	127264170
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	279.9978
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	1.77
IP(EA), eV:	-8.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(6R)-6-methylpiperidin-3-yl]-1,3-oxazole;hydrochloride

Drug info:

PubChemData

Smile

CC1CC(C1)(C2=CC=CC=C2Br)NC(=O)OC(C)(C)C

DOS

IR

Vibrations