Geometry & MOs

Info

ID:	277727
PubChem CID:	103830631
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	4.6
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,2,5-trimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CN(CCSC)C(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations